1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide

C16H24N6O2 — CID 56898722

IUPAC1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C1(C(N)=O)CC1)C2
InChIInChI=1S/C16H24N6O2/c1-20(2)12-10-5-8-22(14(24)16(6-7-16)13(17)23)9-11(10)18-15(19-12)21(3)4/h5-9H2,1-4H3,(H2,17,23)
InChIKeyLMFPLAMSKIZJJD-UHFFFAOYSA-N
MW332.41 g/mol
LogP-0.24
Rot. Bonds4

About 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide

1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide (PubChem CID 56898722) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
PubChem CID56898722
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide
SMILESCN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C1(C(N)=O)CC1)C2
InChIInChI=1S/C16H24N6O2/c1-20(2)12-10-5-8-22(14(24)16(6-7-16)13(17)23)9-11(10)18-15(19-12)21(3)4/h5-9H2,1-4H3,(H2,17,23)
InChIKeyLMFPLAMSKIZJJD-UHFFFAOYSA-N
XLogP-0.24
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide (CID 56898722) is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide is CN(C)c1nc2c(c(N(C)C)n1)CCN(C(=O)C1(C(N)=O)CC1)C2.
What is the InChIKey of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is LMFPLAMSKIZJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-20(2)12-10-5-8-22(14(24)16(6-7-16)13(17)23)9-11(10)18-15(19-12)21(3)4/h5-9H2,1-4H3,(H2,17,23).
What are the key properties of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide?
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 332.41 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56898722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).