2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine

C18H20N8 — CID 132764783

IUPAC2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN(c3ccncn3)C2)n1
InChIInChI=1S/C18H20N8/c1-13-23-15(10-16(24-13)25-18-20-6-3-7-21-18)14-4-2-9-26(11-14)17-5-8-19-12-22-17/h3,5-8,10,12,14H,2,4,9,11H2,1H3,(H,20,21,23,24,25)
InChIKeyDJENYZTUBMMRFQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.49
Rot. Bonds4

About 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine

2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine (PubChem CID 132764783) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine
PubChem CID132764783
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC Name2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine
SMILESCc1nc(Nc2ncccn2)cc(C2CCCN(c3ccncn3)C2)n1
InChIInChI=1S/C18H20N8/c1-13-23-15(10-16(24-13)25-18-20-6-3-7-21-18)14-4-2-9-26(11-14)17-5-8-19-12-22-17/h3,5-8,10,12,14H,2,4,9,11H2,1H3,(H,20,21,23,24,25)
InChIKeyDJENYZTUBMMRFQ-UHFFFAOYSA-N
XLogP2.49
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-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

2-methyl-6-(1-methylpiperidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110255556
5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine
CID 110131586
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
N,2-dimethyl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrimidin-4-amine
CID 110257007
N-(6-methyl-2-pyridinyl)-3-[(3S)-1-pyrimidin-4-ylpiperidin-3-yl]pyrazin-2-amine
CID 125000666
2-methyl-6-(1-propan-2-ylpyrrolidin-3-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269647
4-(1-pyridin-2-ylpiperidin-3-yl)pyrimidine
CID 122602482
N-[6-(1-pyrazin-2-ylpiperidin-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110269836
2-methoxy-2-methyl-1-[(3R)-3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125003739
2-methyl-6-[1-(2-methylpropyl)pyrrolidin-3-yl]-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269979
2-methyl-6-(1-methylpyrrolidin-2-yl)-N-pyrimidin-2-ylpyrimidin-4-amine
CID 110269635
2-methyl-N-pyrimidin-2-yl-6-pyrrolidin-3-ylpyrimidin-4-amine
CID 110095196

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine (CID 132764783) is 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine is Cc1nc(Nc2ncccn2)cc(C2CCCN(c3ccncn3)C2)n1.
What is the InChIKey of 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine?
The InChIKey is DJENYZTUBMMRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-13-23-15(10-16(24-13)25-18-20-6-3-7-21-18)14-4-2-9-26(11-14)17-5-8-19-12-22-17/h3,5-8,10,12,14H,2,4,9,11H2,1H3,(H,20,21,23,24,25).
What are the key properties of 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine?
2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyrimidin-2-yl-6-(1-pyrimidin-4-ylpiperidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 132764783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).