N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine

C17H18N8 — CID 95815242

IUPACN-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
SMILESc1cnc(N2CCC(c3ccnc(Nc4cncnc4)n3)CC2)nc1
InChIInChI=1S/C17H18N8/c1-5-21-17(22-6-1)25-8-3-13(4-9-25)15-2-7-20-16(24-15)23-14-10-18-12-19-11-14/h1-2,5-7,10-13H,3-4,8-9H2,(H,20,23,24)
InChIKeyHSPNSPMOQLQDRW-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.18
Rot. Bonds4

About N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine

N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 95815242) has the molecular formula C17H18N8 and a molecular weight of 334.39 g/mol. Its IUPAC name is N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID95815242
Molecular FormulaC17H18N8
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine
SMILESc1cnc(N2CCC(c3ccnc(Nc4cncnc4)n3)CC2)nc1
InChIInChI=1S/C17H18N8/c1-5-21-17(22-6-1)25-8-3-13(4-9-25)15-2-7-20-16(24-15)23-14-10-18-12-19-11-14/h1-2,5-7,10-13H,3-4,8-9H2,(H,20,23,24)
InChIKeyHSPNSPMOQLQDRW-UHFFFAOYSA-N
XLogP2.18
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-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-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine (CID 95815242) is N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine is c1cnc(N2CCC(c3ccnc(Nc4cncnc4)n3)CC2)nc1.
What is the InChIKey of N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is HSPNSPMOQLQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8/c1-5-21-17(22-6-1)25-8-3-13(4-9-25)15-2-7-20-16(24-15)23-14-10-18-12-19-11-14/h1-2,5-7,10-13H,3-4,8-9H2,(H,20,23,24).
What are the key properties of N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine?
N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 334.39 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrimidin-5-yl-4-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 95815242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).