N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C12H20N4 — CID 161051585

IUPACN-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCNc1ccnc(CC2(C)CCNCC2)n1
InChIInChI=1S/C12H20N4/c1-12(4-7-14-8-5-12)9-11-15-6-3-10(13-2)16-11/h3,6,14H,4-5,7-9H2,1-2H3,(H,13,15,16)
InChIKeyUCFAXGWQTISEQL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.45
Rot. Bonds3

About N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 161051585) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID161051585
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCNc1ccnc(CC2(C)CCNCC2)n1
InChIInChI=1S/C12H20N4/c1-12(4-7-14-8-5-12)9-11-15-6-3-10(13-2)16-11/h3,6,14H,4-5,7-9H2,1-2H3,(H,13,15,16)
InChIKeyUCFAXGWQTISEQL-UHFFFAOYSA-N
XLogP1.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[(4-methylpiperidin-4-yl)methyl]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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 161051585) is N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is CNc1ccnc(CC2(C)CCNCC2)n1.
What is the InChIKey of N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is UCFAXGWQTISEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-12(4-7-14-8-5-12)9-11-15-6-3-10(13-2)16-11/h3,6,14H,4-5,7-9H2,1-2H3,(H,13,15,16).
What are the key properties of N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 161051585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).