N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine

C14H16N6 — CID 68522169

IUPACN-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine
SMILESCCC(C)Nc1nc(-c2cccnc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c1-3-9(2)18-14-19-11(10-5-4-6-15-7-10)12-13(20-14)17-8-16-12/h4-9H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeySROUWLKBPBEQCH-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds4

About N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine

N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine (PubChem CID 68522169) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine
PubChem CID68522169
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC NameN-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine
SMILESCCC(C)Nc1nc(-c2cccnc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c1-3-9(2)18-14-19-11(10-5-4-6-15-7-10)12-13(20-14)17-8-16-12/h4-9H,3H2,1-2H3,(H2,16,17,18,19,20)
InChIKeySROUWLKBPBEQCH-UHFFFAOYSA-N
XLogP2.63
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-ethyl-1H-imidazol-4-yl)pyridine
CID 45120975
N-[(2R)-butan-2-yl]-2-methyl-7H-purin-6-amine
CID 67967892
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
N-[1-(8-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 76599339
(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
CID 25053272
N-butan-2-yl-1,6-naphthyridin-8-amine
CID 91953467
2-[(1S)-1-(7-fluoro-2-pyridin-3-ylquinolin-3-yl)ethyl]-7H-purin-6-amine
CID 140537062
1-[methyl-[5-[2-(4-morpholin-4-ylanilino)-7H-purin-6-yl]-2-pyridinyl]amino]propan-2-ol
CID 174597339
2-pyridin-3-yl-7H-purine-6-carboxamide
CID 154291599
2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 25120412
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-[methyl(propan-2-yl)amino]-3-pyridin-3-ylpyrido[2,3-b]pyrazine-7-carboxylic acid
CID 70659354

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine?
The IUPAC name of N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine (CID 68522169) is N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine.
What is the SMILES notation for N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine?
The canonical SMILES for N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine is CCC(C)Nc1nc(-c2cccnc2)c2[nH]cnc2n1.
What is the InChIKey of N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine?
The InChIKey is SROUWLKBPBEQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-9(2)18-14-19-11(10-5-4-6-15-7-10)12-13(20-14)17-8-16-12/h4-9H,3H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine?
N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine has a molecular weight of 268.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-pyridin-3-yl-7H-purin-2-amine is sourced from PubChem (CID 68522169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).