4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile

C15H14N6 — CID 107795065

IUPAC4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
SMILESCCCc1c(N)ncnc1Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H14N6/c1-2-3-13-14(18)19-9-20-15(13)21-12-5-4-10(7-16)11(6-12)8-17/h4-6,9H,2-3H2,1H3,(H3,18,19,20,21)
InChIKeyJPCNNFNUXBBXIS-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.50
Rot. Bonds4

About 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile

4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile (PubChem CID 107795065) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
PubChem CID107795065
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile
SMILESCCCc1c(N)ncnc1Nc1ccc(C#N)c(C#N)c1
InChIInChI=1S/C15H14N6/c1-2-3-13-14(18)19-9-20-15(13)21-12-5-4-10(7-16)11(6-12)8-17/h4-6,9H,2-3H2,1H3,(H3,18,19,20,21)
InChIKeyJPCNNFNUXBBXIS-UHFFFAOYSA-N
XLogP2.50
TPSA111.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(4-fluoro-3-methoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 114841127
3-[(6-amino-5-propylpyrimidin-4-yl)amino]-4-methylbenzonitrile
CID 80822866
5-propyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 80738120
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
4-bromo-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 107802049
5-propyl-4-N-(2,3,5,6-tetrafluorophenyl)pyrimidine-4,6-diamine
CID 107647117
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
5-fluoro-2-[(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]benzonitrile
CID 82683530
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile (CID 107795065) is 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile is CCCc1c(N)ncnc1Nc1ccc(C#N)c(C#N)c1.
What is the InChIKey of 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
The InChIKey is JPCNNFNUXBBXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-2-3-13-14(18)19-9-20-15(13)21-12-5-4-10(7-16)11(6-12)8-17/h4-6,9H,2-3H2,1H3,(H3,18,19,20,21).
What are the key properties of 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile?
4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile has a molecular weight of 278.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-5-propylpyrimidin-4-yl)amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107795065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).