4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine

C14H13N5 — CID 80789594

IUPAC4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1Nc1cccc2cnccc12
InChIInChI=1S/C14H13N5/c1-9-7-17-14(15)19-13(9)18-12-4-2-3-10-8-16-6-5-11(10)12/h2-8H,1H3,(H3,15,17,18,19)
InChIKeyIRABHFLUKLTNMN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.66
Rot. Bonds2

About 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine

4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine (PubChem CID 80789594) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
PubChem CID80789594
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1Nc1cccc2cnccc12
InChIInChI=1S/C14H13N5/c1-9-7-17-14(15)19-13(9)18-12-4-2-3-10-8-16-6-5-11(10)12/h2-8H,1H3,(H3,15,17,18,19)
InChIKeyIRABHFLUKLTNMN-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

5-fluoro-4-N-isoquinolin-5-ylpyrimidine-2,4-diamine
CID 80789073
4-N-isoquinolin-5-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80789513
4-N-isoquinolin-5-yl-2-methyl-1H-imidazole-4,5-diamine
CID 55011951
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
4-N-isoquinolin-5-yl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80789872
3-N-isoquinolin-5-yl-1-methylpyrazole-3,4-diamine
CID 103078111
5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80762862
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
2-N-ethyl-5-methyl-4-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 66792053
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400
2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
CID 80992137
N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
CID 156839455

Frequently Asked Questions

What is the IUPAC name of 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine (CID 80789594) is 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine is Cc1cnc(N)nc1Nc1cccc2cnccc12.
What is the InChIKey of 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine?
The InChIKey is IRABHFLUKLTNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-9-7-17-14(15)19-13(9)18-12-4-2-3-10-8-16-6-5-11(10)12/h2-8H,1H3,(H3,15,17,18,19).
What are the key properties of 4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine?
4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-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-5-yl-5-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).