N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine

C21H28N6 — CID 126890588

IUPACN-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(Cc3ccnc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C21H28N6/c1-15-12-20(24-14-23-15)27(18-4-5-18)19-7-10-26(11-8-19)13-17-6-9-22-21(25-17)16-2-3-16/h6,9,12,14,16,18-19H,2-5,7-8,10-11,13H2,1H3
InChIKeyYIISSHPKXYVHQL-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.09
Rot. Bonds6

About N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine

N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (PubChem CID 126890588) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
PubChem CID126890588
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC NameN-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N(C2CC2)C2CCN(Cc3ccnc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C21H28N6/c1-15-12-20(24-14-23-15)27(18-4-5-18)19-7-10-26(11-8-19)13-17-6-9-22-21(25-17)16-2-3-16/h6,9,12,14,16,18-19H,2-5,7-8,10-11,13H2,1H3
InChIKeyYIISSHPKXYVHQL-UHFFFAOYSA-N
XLogP3.09
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-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,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrimidin-4-amine
CID 126890553
6-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 126888559
N-cyclopropyl-N-[1-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126890598
N-cyclopropyl-N-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890149
N-cyclopropyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126890847
N-cyclopropyl-6-methyl-N-[1-(1,3-oxazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890697
N,6-dimethyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889315
N-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889747
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
N-methyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126888975
5-[[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 126890686

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine (CID 126890588) is N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is Cc1cc(N(C2CC2)C2CCN(Cc3ccnc(C4CC4)n3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
The InChIKey is YIISSHPKXYVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-15-12-20(24-14-23-15)27(18-4-5-18)19-7-10-26(11-8-19)13-17-6-9-22-21(25-17)16-2-3-16/h6,9,12,14,16,18-19H,2-5,7-8,10-11,13H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine?
N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine has a molecular weight of 364.50 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 126890588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).