2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile

C14H15N5 — CID 80945825

IUPAC2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1nc(N)cc(Nc2ccccc2C#N)n1
InChIInChI=1S/C14H15N5/c1-2-5-13-18-12(16)8-14(19-13)17-11-7-4-3-6-10(11)9-15/h3-4,6-8H,2,5H2,1H3,(H3,16,17,18,19)
InChIKeyPACATEIILXZDSR-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.63
Rot. Bonds4

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

2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 80945825) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
PubChem CID80945825
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1nc(N)cc(Nc2ccccc2C#N)n1
InChIInChI=1S/C14H15N5/c1-2-5-13-18-12(16)8-14(19-13)17-11-7-4-3-6-10(11)9-15/h3-4,6-8H,2,5H2,1H3,(H3,16,17,18,19)
InChIKeyPACATEIILXZDSR-UHFFFAOYSA-N
XLogP2.63
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-amino-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80950260
4-N-(2,3-difluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954438
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760760
4-bromo-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]benzonitrile
CID 107801750
4-N-(4-bromo-2,3-dichlorophenyl)-2-propylpyrimidine-4,6-diamine
CID 107794868
2-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112875748
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
2-propyl-4-N-(2,3,5-trifluorophenyl)pyrimidine-4,6-diamine
CID 80954841
4-N-(4-methoxy-2-methylphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954632
4-N-(4-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80946490
2-[[2-methyl-6-(pentylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876333
4-N-(4-fluoro-2-methoxyphenyl)-2-propylpyrimidine-4,6-diamine
CID 80954383

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile (CID 80945825) is 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile is CCCc1nc(N)cc(Nc2ccccc2C#N)n1.
What is the InChIKey of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is PACATEIILXZDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-5-13-18-12(16)8-14(19-13)17-11-7-4-3-6-10(11)9-15/h3-4,6-8H,2,5H2,1H3,(H3,16,17,18,19).
What are the key properties of 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile?
2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 253.31 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 2-[(6-amino-2-propylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 80945825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).