4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile

C20H17N5 — CID 112879566

IUPAC4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c21-13-14-6-8-16(9-7-14)22-18-12-19(23-17-10-11-17)25-20(24-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,22,23,24,25)
InChIKeySLCCZIQOFOKASJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.33
Rot. Bonds5

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

4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112879566) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112879566
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H17N5/c21-13-14-6-8-16(9-7-14)22-18-12-19(23-17-10-11-17)25-20(24-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,22,23,24,25)
InChIKeySLCCZIQOFOKASJ-UHFFFAOYSA-N
XLogP4.33
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112867629
4-N-cyclopropyl-6-N-(4-methoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879528
N-(4-cyanophenyl)-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851822
4-[[6-(benzylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881231
4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]benzonitrile
CID 112934407
3-[[6-(3-cyanoanilino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112881724
4-N-cyclopropyl-6-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879556
1-[4-[[6-(cyclopentylamino)-2-phenylpyrimidin-4-yl]amino]phenyl]ethanone
CID 112880079
4-N-cyclopropyl-2-phenyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112879538
cis-(1S,3R)-3-[[2-phenyl-6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]cyclopentan-1-ol
CID 139393284
6-chloro-N-cyclopropyl-2-phenylpyrimidin-4-amine
CID 112559616
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile (CID 112879566) is 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile is N#Cc1ccc(Nc2cc(NC3CC3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is SLCCZIQOFOKASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c21-13-14-6-8-16(9-7-14)22-18-12-19(23-17-10-11-17)25-20(24-18)15-4-2-1-3-5-15/h1-9,12,17H,10-11H2,(H2,22,23,24,25).
What are the key properties of 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile?
4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 327.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112879566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).