2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile

C16H18N6 — CID 169396379

IUPAC2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
SMILESCc1cc(N2CCCC2)ccc1-c1nc(N)nc(N)c1C#N
InChIInChI=1S/C16H18N6/c1-10-8-11(22-6-2-3-7-22)4-5-12(10)14-13(9-17)15(18)21-16(19)20-14/h4-5,8H,2-3,6-7H2,1H3,(H4,18,19,20,21)
InChIKeyUHQDYUHGRDYVTG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.09
Rot. Bonds2

About 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile

2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile (PubChem CID 169396379) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
PubChem CID169396379
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
SMILESCc1cc(N2CCCC2)ccc1-c1nc(N)nc(N)c1C#N
InChIInChI=1S/C16H18N6/c1-10-8-11(22-6-2-3-7-22)4-5-12(10)14-13(9-17)15(18)21-16(19)20-14/h4-5,8H,2-3,6-7H2,1H3,(H4,18,19,20,21)
InChIKeyUHQDYUHGRDYVTG-UHFFFAOYSA-N
XLogP2.09
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-diamino-6-(4-bromo-2-methylphenyl)pyrimidine-5-carbonitrile
CID 169396212
4-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168588203
2,4-diamino-6-(3-methoxy-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile
CID 169397288
2,4-diamino-6-(2,4-dihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169395987
4-(azocan-1-yl)-2-methylbenzonitrile
CID 79019375
2,4-diamino-6-(2-chlorophenyl)pyrimidine-5-carbonitrile
CID 169398559
2,4-diamino-6-(4-bromo-2-fluoro-3-methylphenyl)pyrimidine-5-carbonitrile
CID 169398857
2,4-diamino-6-(2-hydroxy-4-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169395991
2,4-diamino-6-(2,3,4-trihydroxyphenyl)pyrimidine-5-carbonitrile
CID 169396057
2,4-diamino-6-(2-chloro-4-fluorophenyl)pyrimidine-5-carbonitrile
CID 169396041
2,4-diamino-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 169396368
2,4-diamino-6-[2-(3-methyl-1,2-thiazol-5-yl)phenyl]pyrimidine-5-carbonitrile
CID 169397583

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile (CID 169396379) is 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile is Cc1cc(N2CCCC2)ccc1-c1nc(N)nc(N)c1C#N.
What is the InChIKey of 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile?
The InChIKey is UHQDYUHGRDYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-8-11(22-6-2-3-7-22)4-5-12(10)14-13(9-17)15(18)21-16(19)20-14/h4-5,8H,2-3,6-7H2,1H3,(H4,18,19,20,21).
What are the key properties of 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile?
2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).