N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine

C17H28N4 — CID 62744044

IUPACN-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(N2CCCCC2)nc(C)c1CCCNC1CC1
InChIInChI=1S/C17H28N4/c1-13-16(7-6-10-18-15-8-9-15)14(2)20-17(19-13)21-11-4-3-5-12-21/h15,18H,3-12H2,1-2H3
InChIKeyQJOMGWZWTFVNLC-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.77
Rot. Bonds6

About N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine

N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine (PubChem CID 62744044) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
PubChem CID62744044
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
SMILESCc1nc(N2CCCCC2)nc(C)c1CCCNC1CC1
InChIInChI=1S/C17H28N4/c1-13-16(7-6-10-18-15-8-9-15)14(2)20-17(19-13)21-11-4-3-5-12-21/h15,18H,3-12H2,1-2H3
InChIKeyQJOMGWZWTFVNLC-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine 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

3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 62745440
N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propan-1-amine
CID 55113725
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 65399429
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
1-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)-N-methylmethanamine
CID 62745478
N-[2-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62756927
N-[3-[4,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 55113678
N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
CID 62746380
N-[3-[2-(1-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]propyl]cyclopropanamine
CID 116731643
(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanamine;hydrochloride
CID 82021870

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine (CID 62744044) is N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine is Cc1nc(N2CCCCC2)nc(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
The InChIKey is QJOMGWZWTFVNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13-16(7-6-10-18-15-8-9-15)14(2)20-17(19-13)21-11-4-3-5-12-21/h15,18H,3-12H2,1-2H3.
What are the key properties of N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine?
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine has a molecular weight of 288.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62744044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).