2-(4-butylanilino)pyrimidine-4-carbonitrile

C15H16N4 — CID 107543659

IUPAC2-(4-butylanilino)pyrimidine-4-carbonitrile
SMILESCCCCc1ccc(Nc2nccc(C#N)n2)cc1
InChIInChI=1S/C15H16N4/c1-2-3-4-12-5-7-13(8-6-12)18-15-17-10-9-14(11-16)19-15/h5-10H,2-4H2,1H3,(H,17,18,19)
InChIKeySGYNECQUPYRUSA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.43
Rot. Bonds5

About 2-(4-butylanilino)pyrimidine-4-carbonitrile

2-(4-butylanilino)pyrimidine-4-carbonitrile (PubChem CID 107543659) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(4-butylanilino)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-butylanilino)pyrimidine-4-carbonitrile
PubChem CID107543659
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(4-butylanilino)pyrimidine-4-carbonitrile
SMILESCCCCc1ccc(Nc2nccc(C#N)n2)cc1
InChIInChI=1S/C15H16N4/c1-2-3-4-12-5-7-13(8-6-12)18-15-17-10-9-14(11-16)19-15/h5-10H,2-4H2,1H3,(H,17,18,19)
InChIKeySGYNECQUPYRUSA-UHFFFAOYSA-N
XLogP3.43
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilinopyrimidine-4-carbonitrile
CID 19392543
3-(4-butylanilino)pyrazine-2-carbonitrile
CID 60620244
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-(4-propylanilino)pyridine-2-carbonitrile
CID 62924957
4-[[4-(butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112882981
2-(2-methylpentan-2-ylamino)pyrimidine-4-carbonitrile
CID 107545205
2-(pentan-3-ylamino)pyrimidine-4-carbonitrile
CID 107543275
2-(3-bromo-4-methoxyanilino)pyrimidine-4-carbonitrile
CID 107544716
2-(4-fluoro-3-methoxyanilino)pyrimidine-4-carbonitrile
CID 107545386
2-(3-chloro-4-fluoroanilino)pyrimidine-4-carbonitrile
CID 107543559
4-[[4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 71740451
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-butylanilino)pyrimidine-4-carbonitrile (CID 107543659) is 2-(4-butylanilino)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-butylanilino)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-butylanilino)pyrimidine-4-carbonitrile is CCCCc1ccc(Nc2nccc(C#N)n2)cc1.
What is the InChIKey of 2-(4-butylanilino)pyrimidine-4-carbonitrile?
The InChIKey is SGYNECQUPYRUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-2-3-4-12-5-7-13(8-6-12)18-15-17-10-9-14(11-16)19-15/h5-10H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-butylanilino)pyrimidine-4-carbonitrile?
2-(4-butylanilino)pyrimidine-4-carbonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107543659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).