4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine

C14H13N5 — CID 80851740

IUPAC4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(Nc2cccc3ccncc23)n1
InChIInChI=1S/C14H13N5/c1-9-17-13(15)7-14(18-9)19-12-4-2-3-10-5-6-16-8-11(10)12/h2-8H,1H3,(H3,15,17,18,19)
InChIKeyNKKHLMZJZYUFMP-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.66
Rot. Bonds2

About 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine

4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine (PubChem CID 80851740) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
PubChem CID80851740
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
SMILESCc1nc(N)cc(Nc2cccc3ccncc23)n1
InChIInChI=1S/C14H13N5/c1-9-17-13(15)7-14(18-9)19-12-4-2-3-10-5-6-16-8-11(10)12/h2-8H,1H3,(H3,15,17,18,19)
InChIKeyNKKHLMZJZYUFMP-UHFFFAOYSA-N
XLogP2.66
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-isoquinolin-8-yl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852329
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
2,6-dichloro-1-N-isoquinolin-8-ylbenzene-1,4-diamine
CID 106890617
2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
CID 80992137
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine
CID 115474338
N-(5-bromo-3-pyridinyl)isoquinolin-8-amine
CID 104531874
6-N-(4-methyl-3-pyridinyl)-4-phenylpyridine-2,6-diamine
CID 154724374
N-propylisoquinolin-8-amine
CID 54033424
2-N-isoquinolin-8-yl-3-nitropyridine-2,6-diamine
CID 80840181
2-amino-4-(isoquinolin-8-ylamino)benzoic acid
CID 104500796

Frequently Asked Questions

What is the IUPAC name of 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine (CID 80851740) is 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine is Cc1nc(N)cc(Nc2cccc3ccncc23)n1.
What is the InChIKey of 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine?
The InChIKey is NKKHLMZJZYUFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-9-17-13(15)7-14(18-9)19-12-4-2-3-10-5-6-16-8-11(10)12/h2-8H,1H3,(H3,15,17,18,19).
What are the key properties of 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine?
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80851740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).