N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine

C15H18N4 — CID 116974942

IUPACN-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine
SMILESNCc1ccc(Nc2ncc(C3CCC3)cn2)cc1
InChIInChI=1S/C15H18N4/c16-8-11-4-6-14(7-5-11)19-15-17-9-13(10-18-15)12-2-1-3-12/h4-7,9-10,12H,1-3,8,16H2,(H,17,18,19)
InChIKeyYMZLWUGLXABJJG-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.95
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine

N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine (PubChem CID 116974942) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine
PubChem CID116974942
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine
SMILESNCc1ccc(Nc2ncc(C3CCC3)cn2)cc1
InChIInChI=1S/C15H18N4/c16-8-11-4-6-14(7-5-11)19-15-17-9-13(10-18-15)12-2-1-3-12/h4-7,9-10,12H,1-3,8,16H2,(H,17,18,19)
InChIKeyYMZLWUGLXABJJG-UHFFFAOYSA-N
XLogP2.95
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylphenyl)methanamine
CID 22246867
N-[4-(aminomethyl)phenyl]-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116974940
N-(3-chlorophenyl)-5-cyclopropylpyrimidin-2-amine
CID 126516203
(5-cyclohexylpyrimidin-2-yl)methanamine
CID 83697989
2-[[4-[(5-cyclobutylpyrimidin-2-yl)amino]phenyl]sulfanylamino]ethanol;N-iodo-1-methylcyclopropan-1-amine
CID 171087637
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544
[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine
CID 105483157
1-N-(5-cyclobutylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
CID 116974637
3-N-(5-cyclohexylpyrimidin-2-yl)-3-methylbutane-1,3-diamine
CID 116974590
6-cyclobutyl-N-(4-phenoxyphenyl)quinazolin-2-amine
CID 90936234
4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide
CID 171087301
N-cycloheptyl-2-(4-ethylanilino)pyrimidine-5-carboxamide
CID 109263102

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine (CID 116974942) is N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine is NCc1ccc(Nc2ncc(C3CCC3)cn2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine?
The InChIKey is YMZLWUGLXABJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c16-8-11-4-6-14(7-5-11)19-15-17-9-13(10-18-15)12-2-1-3-12/h4-7,9-10,12H,1-3,8,16H2,(H,17,18,19).
What are the key properties of N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine?
N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-5-cyclobutylpyrimidin-2-amine is sourced from PubChem (CID 116974942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).