4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile

C13H13N5 — CID 112755989

IUPAC4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1NCc1ccc(CN)cc1
InChIInChI=1S/C13H13N5/c14-5-10-1-3-11(4-2-10)7-17-13-12(6-15)8-16-9-18-13/h1-4,8-9H,5,7,14H2,(H,16,17,18)
InChIKeyRHPKIDPTOZBXRN-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.42
Rot. Bonds4

About 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile

4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile (PubChem CID 112755989) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
PubChem CID112755989
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1cncnc1NCc1ccc(CN)cc1
InChIInChI=1S/C13H13N5/c14-5-10-1-3-11(4-2-10)7-17-13-12(6-15)8-16-9-18-13/h1-4,8-9H,5,7,14H2,(H,16,17,18)
InChIKeyRHPKIDPTOZBXRN-UHFFFAOYSA-N
XLogP1.42
TPSA87.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
4-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methylamino]pyrimidine-5-carbonitrile
CID 166241080
2-[(5-cyanopyrimidin-4-yl)amino]acetic acid
CID 130541021
4-(3-methylbut-2-enylamino)pyrimidine-5-carbonitrile
CID 130541128
4-(2-methylsulfanylpropylamino)pyrimidine-5-carbonitrile
CID 130541106
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
7-[(5-cyanopyrimidin-4-yl)amino]heptanoic acid
CID 112754997
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
N-[[4-(aminomethyl)phenyl]methyl]pyrazin-2-amine
CID 60918656
[4-[[(5-bromopyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232275
4-[[(3-aminopyrazin-2-yl)amino]methyl]benzonitrile
CID 113228938
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile (CID 112755989) is 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile is N#Cc1cncnc1NCc1ccc(CN)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
The InChIKey is RHPKIDPTOZBXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-5-10-1-3-11(4-2-10)7-17-13-12(6-15)8-16-9-18-13/h1-4,8-9H,5,7,14H2,(H,16,17,18).
What are the key properties of 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile?
4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]methylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 112755989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).