N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C18H23N5 — CID 172900242

IUPACN-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1ccncc1CN1CCC(N(c2ccncn2)C2CC2)C1
InChIInChI=1S/C18H23N5/c1-14-4-7-19-10-15(14)11-22-9-6-17(12-22)23(16-2-3-16)18-5-8-20-13-21-18/h4-5,7-8,10,13,16-17H,2-3,6,9,11-12H2,1H3
InChIKeyASQLYOHHOOAXMA-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.42
Rot. Bonds5

About N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172900242) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172900242
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1ccncc1CN1CCC(N(c2ccncn2)C2CC2)C1
InChIInChI=1S/C18H23N5/c1-14-4-7-19-10-15(14)11-22-9-6-17(12-22)23(16-2-3-16)18-5-8-20-13-21-18/h4-5,7-8,10,13,16-17H,2-3,6,9,11-12H2,1H3
InChIKeyASQLYOHHOOAXMA-UHFFFAOYSA-N
XLogP2.42
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine 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

N-cyclopropyl-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172881525
N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-[1-[(3-fluoro-4-pyridinyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171995236
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
N-cyclopropyl-N-[1-(oxan-3-ylmethyl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993953
N-cyclopropyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890079
1-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine;hydrochloride
CID 120843370
1-[(4-methyl-3-pyridinyl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114957636
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclopropylpyrimidin-4-amine
CID 171996337
N-cyclopropyl-N-[1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890188
3-[[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 126890114
N-[1-[(2,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 171998300

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 172900242) is N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is Cc1ccncc1CN1CCC(N(c2ccncn2)C2CC2)C1.
What is the InChIKey of N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is ASQLYOHHOOAXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-4-7-19-10-15(14)11-22-9-6-17(12-22)23(16-2-3-16)18-5-8-20-13-21-18/h4-5,7-8,10,13,16-17H,2-3,6,9,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 309.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172900242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).