4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine

C20H26N4O2 — CID 126436493

IUPAC4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
SMILESCc1ccc(OC2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-2-4-16(5-3-14)26-17-6-9-24(10-7-17)19-12-18(22-20(21)23-19)15-8-11-25-13-15/h2-5,12,15,17H,6-11,13H2,1H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyAWQLECKETXRGCP-OAHLLOKOSA-N
MW354.45 g/mol
LogP2.92
Rot. Bonds4

About 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine

4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine (PubChem CID 126436493) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
PubChem CID126436493
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
SMILESCc1ccc(OC2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2)cc1
InChIInChI=1S/C20H26N4O2/c1-14-2-4-16(5-3-14)26-17-6-9-24(10-7-17)19-12-18(22-20(21)23-19)15-8-11-25-13-15/h2-5,12,15,17H,6-11,13H2,1H3,(H2,21,22,23)/t15-/m1/s1
InChIKeyAWQLECKETXRGCP-OAHLLOKOSA-N
XLogP2.92
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-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 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine (CID 126436493) is 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine is Cc1ccc(OC2CCN(c3cc([C@@H]4CCOC4)nc(N)n3)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
The InChIKey is AWQLECKETXRGCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-2-4-16(5-3-14)26-17-6-9-24(10-7-17)19-12-18(22-20(21)23-19)15-8-11-25-13-15/h2-5,12,15,17H,6-11,13H2,1H3,(H2,21,22,23)/t15-/m1/s1.
What are the key properties of 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine?
4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine has a molecular weight of 354.45 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenoxy)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 126436493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).