2-pentylpyrido[2,3-d]pyrimidin-7-amine

C12H16N4 — CID 67700184

IUPAC2-pentylpyrido[2,3-d]pyrimidin-7-amine
SMILESCCCCCc1ncc2ccc(N)nc2n1
InChIInChI=1S/C12H16N4/c1-2-3-4-5-11-14-8-9-6-7-10(13)15-12(9)16-11/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyPRZDBMBDJDZIGH-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds4

About 2-pentylpyrido[2,3-d]pyrimidin-7-amine

2-pentylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 67700184) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-pentylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-pentylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID67700184
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-pentylpyrido[2,3-d]pyrimidin-7-amine
SMILESCCCCCc1ncc2ccc(N)nc2n1
InChIInChI=1S/C12H16N4/c1-2-3-4-5-11-14-8-9-6-7-10(13)15-12(9)16-11/h6-8H,2-5H2,1H3,(H2,13,14,15,16)
InChIKeyPRZDBMBDJDZIGH-UHFFFAOYSA-N
XLogP2.34
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 175827210
2,4-dioctadecyl-1,3,5-triazine
CID 91537200
2-pentyl-7H-pyrrolo[2,3-h]quinazoline
CID 68572299
4-(1H-indol-2-yl)-2-pentylpyrimidin-5-amine
CID 175181341
5-bromo-2-hexylpyrimidine
CID 122446219
2-octyl-7H-purin-6-amine
CID 139890933
6-octadecyl-1,3,5-triazine-2,4-diamine
CID 154108733
2,4-dimethyl-6-pentyl-1,3,5-triazine
CID 15211759
benzene;3-pentylisoquinoline
CID 175224692
5-heptadecyl-1H-imidazol-2-amine
CID 25178085
2-butyl-4,6-di(nonyl)-1,3,5-triazine
CID 91505211
2-nonylpyrimidine
CID 23297050

Frequently Asked Questions

What is the IUPAC name of 2-pentylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 2-pentylpyrido[2,3-d]pyrimidin-7-amine (CID 67700184) is 2-pentylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-pentylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-pentylpyrido[2,3-d]pyrimidin-7-amine is CCCCCc1ncc2ccc(N)nc2n1.
What is the InChIKey of 2-pentylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is PRZDBMBDJDZIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-3-4-5-11-14-8-9-6-7-10(13)15-12(9)16-11/h6-8H,2-5H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-pentylpyrido[2,3-d]pyrimidin-7-amine?
2-pentylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 216.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 67700184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).