N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C15H22N4O3 — CID 119653823

IUPACN-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H22N4O3/c1-9-10(13(20)18(4)7-15(2,3)6-16)11-12(22-9)17-8-19(5)14(11)21/h8H,6-7,16H2,1-5H3
InChIKeyHTXRDEDHEOMRBF-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.89
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 119653823) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID119653823
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCc1oc2ncn(C)c(=O)c2c1C(=O)N(C)CC(C)(C)CN
InChIInChI=1S/C15H22N4O3/c1-9-10(13(20)18(4)7-15(2,3)6-16)11-12(22-9)17-8-19(5)14(11)21/h8H,6-7,16H2,1-5H3
InChIKeyHTXRDEDHEOMRBF-UHFFFAOYSA-N
XLogP0.89
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 119653823) is N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is Cc1oc2ncn(C)c(=O)c2c1C(=O)N(C)CC(C)(C)CN.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is HTXRDEDHEOMRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9-10(13(20)18(4)7-15(2,3)6-16)11-12(22-9)17-8-19(5)14(11)21/h8H,6-7,16H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N,3,6-trimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 119653823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).