[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone

C16H21N7O — CID 71696044

IUPAC[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
SMILESCCCCNc1nc(N)nc2c1CN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C16H21N7O/c1-2-3-5-20-14-11-10-23(8-4-12(11)21-16(17)22-14)15(24)13-9-18-6-7-19-13/h6-7,9H,2-5,8,10H2,1H3,(H3,17,20,21,22)
InChIKeyNXGGZKDACOPVOD-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.26
Rot. Bonds5

About [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone

[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone (PubChem CID 71696044) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
PubChem CID71696044
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone
SMILESCCCCNc1nc(N)nc2c1CN(C(=O)c1cnccn1)CC2
InChIInChI=1S/C16H21N7O/c1-2-3-5-20-14-11-10-23(8-4-12(11)21-16(17)22-14)15(24)13-9-18-6-7-19-13/h6-7,9H,2-5,8,10H2,1H3,(H3,17,20,21,22)
InChIKeyNXGGZKDACOPVOD-UHFFFAOYSA-N
XLogP1.26
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-(pyrimidin-4-ylmethyl)pyrazine-2-carboxamide
CID 165415358
US10093651, Example 15
CID 122632345
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 145988392
N-(1-acetylpiperidin-4-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415340
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrazine-2-carboxamide
CID 45827542
N-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 46958800
7-acetyl-N~4~-[3-(1H-imidazol-1-yl)propyl]-N~2~,N~2~-dimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56876849
7-{[2-(ethylamino)-5-pyrimidinyl]carbonyl}-N,N,2-trimethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56886518
7-acetyl-N~2~,N~2~-dimethyl-N~4~-[3-(2-methyl-1H-imidazol-1-yl)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 70776364
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}pyrazine-2-carboxamide
CID 91892426
(4-Methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-pyrazin-2-ylmethanone
CID 97381250
[4-[Ethyl(methyl)amino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-pyrazin-2-ylmethanone
CID 97381464

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone (CID 71696044) is [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone is CCCCNc1nc(N)nc2c1CN(C(=O)c1cnccn1)CC2.
What is the InChIKey of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
The InChIKey is NXGGZKDACOPVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-2-3-5-20-14-11-10-23(8-4-12(11)21-16(17)22-14)15(24)13-9-18-6-7-19-13/h6-7,9H,2-5,8,10H2,1H3,(H3,17,20,21,22).
What are the key properties of [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone?
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone has a molecular weight of 327.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 71696044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).