N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline

C14H15N3 — CID 141092448

IUPACN-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
SMILESc1cc(-c2ccc(NCC3CC3)cc2)ncn1
InChIInChI=1S/C14H15N3/c1-2-11(1)9-16-13-5-3-12(4-6-13)14-7-8-15-10-17-14/h3-8,10-11,16H,1-2,9H2
InChIKeyGQMVDJBESRAQIP-UHFFFAOYSA-N
MW225.30 g/mol
LogP2.97
Rot. Bonds4

About N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline

N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline (PubChem CID 141092448) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
PubChem CID141092448
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline
SMILESc1cc(-c2ccc(NCC3CC3)cc2)ncn1
InChIInChI=1S/C14H15N3/c1-2-11(1)9-16-13-5-3-12(4-6-13)14-7-8-15-10-17-14/h3-8,10-11,16H,1-2,9H2
InChIKeyGQMVDJBESRAQIP-UHFFFAOYSA-N
XLogP2.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(pyridin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130739
N-[[4-(methylamino)cyclohexyl]methyl]pyridin-4-amine
CID 115213590
(4-pyrimidin-4-ylphenyl)methanamine
CID 28815273
4-chloro-N-(cyclopropylmethyl)aniline;hydrochloride
CID 53249942
4-[4-(4-bromophenyl)phenyl]pyrimidine
CID 174799643
N-[(3-aminocyclopentyl)methyl]pyrimidin-4-amine
CID 83619904
4-[4-(1-adamantyl)phenyl]pyrimidine
CID 174710435
5-pyrimidin-4-ylpyridin-2-amine
CID 130447007
(4-pyrimidin-4-ylphenyl) formate
CID 139536850
[4-(cyclopropylmethylamino)phenyl]methanesulfonamide
CID 43745277
4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
5-[4-(cyclopentylmethylamino)phenyl]-1,2-dihydropyrazol-3-one
CID 62070349

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline?
The IUPAC name of N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline (CID 141092448) is N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline.
What is the SMILES notation for N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline?
The canonical SMILES for N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline is c1cc(-c2ccc(NCC3CC3)cc2)ncn1.
What is the InChIKey of N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline?
The InChIKey is GQMVDJBESRAQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-11(1)9-16-13-5-3-12(4-6-13)14-7-8-15-10-17-14/h3-8,10-11,16H,1-2,9H2.
What are the key properties of N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline?
N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline has a molecular weight of 225.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-pyrimidin-4-ylaniline is sourced from PubChem (CID 141092448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).