2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile

C14H16N6 — CID 80760760

IUPAC2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
SMILESCCCNc1cc(Nc2ccccc2C#N)nc(N)n1
InChIInChI=1S/C14H16N6/c1-2-7-17-12-8-13(20-14(16)19-12)18-11-6-4-3-5-10(11)9-15/h3-6,8H,2,7H2,1H3,(H4,16,17,18,19,20)
InChIKeyDNJLPZSFJLEOMC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.50
Rot. Bonds5

About 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile

2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile (PubChem CID 80760760) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
PubChem CID80760760
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
SMILESCCCNc1cc(Nc2ccccc2C#N)nc(N)n1
InChIInChI=1S/C14H16N6/c1-2-7-17-12-8-13(20-14(16)19-12)18-11-6-4-3-5-10(11)9-15/h3-6,8H,2,7H2,1H3,(H4,16,17,18,19,20)
InChIKeyDNJLPZSFJLEOMC-UHFFFAOYSA-N
XLogP2.50
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-5-bromobenzonitrile
CID 82698177
2-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876333
5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148
2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
CID 80945825
2-[[3-(propylamino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112938680
2-[[6-(3-methylbutylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881662
2-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112880366
2-[[6-methyl-2-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112925575
2-[[6-[(4-chlorophenyl)methylamino]-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112872762
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile (CID 80760760) is 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile is CCCNc1cc(Nc2ccccc2C#N)nc(N)n1.
What is the InChIKey of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile?
The InChIKey is DNJLPZSFJLEOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-2-7-17-12-8-13(20-14(16)19-12)18-11-6-4-3-5-10(11)9-15/h3-6,8H,2,7H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile?
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile has a molecular weight of 268.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 80760760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).