4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C19H24N6O3 — CID 119659611

IUPAC4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12
InChIInChI=1S/C19H24N6O3/c1-11(2)12(20)6-7-24(3)19(27)14-9-13(15-5-4-8-28-15)23-18-16(17(21)26)22-10-25(14)18/h4-5,8-12H,6-7,20H2,1-3H3,(H2,21,26)
InChIKeyIGOLCBGVDMVJCI-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.53
Rot. Bonds7

About 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 119659611) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID119659611
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12
InChIInChI=1S/C19H24N6O3/c1-11(2)12(20)6-7-24(3)19(27)14-9-13(15-5-4-8-28-15)23-18-16(17(21)26)22-10-25(14)18/h4-5,8-12H,6-7,20H2,1-3H3,(H2,21,26)
InChIKeyIGOLCBGVDMVJCI-UHFFFAOYSA-N
XLogP1.53
TPSA132.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 119659611) is 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is CC(C)C(N)CCN(C)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12.
What is the InChIKey of 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is IGOLCBGVDMVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-11(2)12(20)6-7-24(3)19(27)14-9-13(15-5-4-8-28-15)23-18-16(17(21)26)22-10-25(14)18/h4-5,8-12H,6-7,20H2,1-3H3,(H2,21,26).
What are the key properties of 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-amino-4-methylpentyl)-2-(furan-2-yl)-4-N-methylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 119659611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).