6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H30N8O4 — CID 55875310

IUPAC6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N8O4/c1-5-7-10-29-18(23)17(21(33)27-22(29)34)28(6-2)16(31)9-8-14-12(3)26-20-15(19(24)32)11-25-30(20)13(14)4/h11H,5-10,23H2,1-4H3,(H2,24,32)(H,27,33,34)
InChIKeyFYDIVOBSYWPHJM-UHFFFAOYSA-N
MW470.53 g/mol
LogP0.66
Rot. Bonds9

About 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55875310) has the molecular formula C22H30N8O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55875310
Molecular FormulaC22H30N8O4
Molecular Weight470.53 g/mol
Exact Mass470.24
IUPAC Name6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N8O4/c1-5-7-10-29-18(23)17(21(33)27-22(29)34)28(6-2)16(31)9-8-14-12(3)26-20-15(19(24)32)11-25-30(20)13(14)4/h11H,5-10,23H2,1-4H3,(H2,24,32)(H,27,33,34)
InChIKeyFYDIVOBSYWPHJM-UHFFFAOYSA-N
XLogP0.66
TPSA174.47 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55623727
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33175445
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-(1-methylpyrazol-4-yl)propanamide
CID 55875564
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide
CID 55427067
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylbutyl)propanamide
CID 55427160
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(methylamino)acetamide
CID 18087322
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-ethylacetamide
CID 55754402
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(1,3-benzothiazol-2-yl)-N-ethylbutanamide
CID 29310138
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 9200802

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55875310) is 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCn1c(N)c(N(CC)C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)c(=O)[nH]c1=O.
What is the InChIKey of 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FYDIVOBSYWPHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N8O4/c1-5-7-10-29-18(23)17(21(33)27-22(29)34)28(6-2)16(31)9-8-14-12(3)26-20-15(19(24)32)11-25-30(20)13(14)4/h11H,5-10,23H2,1-4H3,(H2,24,32)(H,27,33,34).
What are the key properties of 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 0.66, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55875310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).