6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione

C18H24N6O4S — CID 135759706

IUPAC6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCOC)Cc2nc3ccsc3c(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N6O4S/c1-3-4-6-24-15(19)13(16(25)22-18(24)27)23(7-8-28-2)10-12-20-11-5-9-29-14(11)17(26)21-12/h5,9H,3-4,6-8,10,19H2,1-2H3,(H,20,21,26)(H,22,25,27)
InChIKeyRKFQMDCHHPQLPU-UHFFFAOYSA-N
MW420.50 g/mol
LogP0.87
Rot. Bonds9

About 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 135759706) has the molecular formula C18H24N6O4S and a molecular weight of 420.50 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID135759706
Molecular FormulaC18H24N6O4S
Molecular Weight420.50 g/mol
Exact Mass420.16
IUPAC Name6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCOC)Cc2nc3ccsc3c(=O)[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N6O4S/c1-3-4-6-24-15(19)13(16(25)22-18(24)27)23(7-8-28-2)10-12-20-11-5-9-29-14(11)17(26)21-12/h5,9H,3-4,6-8,10,19H2,1-2H3,(H,20,21,26)(H,22,25,27)
InChIKeyRKFQMDCHHPQLPU-UHFFFAOYSA-N
XLogP0.87
TPSA139.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

6-amino-1-butyl-5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione
CID 55987260
3-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]methyl]benzoic acid
CID 122120057
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135870952
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 55504566
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 46508847
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 55504769
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 18290339
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
CID 16524235
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 16539566
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 26186064
6-amino-1-butyl-5-[3-methylbutyl-[(3-methylquinoxalin-2-yl)methyl]amino]pyrimidine-2,4-dione
CID 112808531
6-amino-5-[1,3-benzoxazol-2-ylmethyl(ethyl)amino]-1-butylpyrimidine-2,4-dione
CID 18136975

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione (CID 135759706) is 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CCOC)Cc2nc3ccsc3c(=O)[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is RKFQMDCHHPQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4S/c1-3-4-6-24-15(19)13(16(25)22-18(24)27)23(7-8-28-2)10-12-20-11-5-9-29-14(11)17(26)21-12/h5,9H,3-4,6-8,10,19H2,1-2H3,(H,20,21,26)(H,22,25,27).
What are the key properties of 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 420.50 g/mol, XLogP of 0.87, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[2-methoxyethyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 135759706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).