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

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Related Compounds

4-(azocan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119059512
4-(3-aminocyclobutyl)-6-[4-(4-methoxyphenoxy)piperidin-1-yl]pyrimidin-2-amine
CID 91772222
[1-[2-amino-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]methanol
CID 126430167
4-[3-(methylamino)pyrrolidin-1-yl]-6-[(3R)-oxolan-3-yl]pyrimidin-2-amine
CID 66741197
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-(oxolan-3-yl)pyrimidin-2-amine
CID 118780899
2-methyl-4-(oxolan-3-yl)-6-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrimidine
CID 119059136
3-[1-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]phenol
CID 126447690
2-[[2-amino-6-[4-(4-methylphenoxy)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 72865913
4-[(3S)-oxolan-3-yl]-6-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidin-2-amine
CID 126430353
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-6-[(3S)-oxolan-3-yl]pyrimidin-2-amine
CID 126433878
4-(4-cyclopentyl-1,4-diazepan-1-yl)-6-(oxolan-3-yl)pyrimidin-2-amine
CID 119061021
6-[4-[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126428881

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).