[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol

C16H19N3O2 — CID 95826547

IUPAC[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol
SMILESCc1nc(-c2ccc(CO)cc2)cc([C@H]2COCCN2)n1
InChIInChI=1S/C16H19N3O2/c1-11-18-14(13-4-2-12(9-20)3-5-13)8-15(19-11)16-10-21-7-6-17-16/h2-5,8,16-17,20H,6-7,9-10H2,1H3/t16-/m1/s1
InChIKeyBTBRHWONLGDKIM-MRXNPFEDSA-N
MW285.35 g/mol
LogP1.61
Rot. Bonds3

About [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol

[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol (PubChem CID 95826547) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol
PubChem CID95826547
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol
SMILESCc1nc(-c2ccc(CO)cc2)cc([C@H]2COCCN2)n1
InChIInChI=1S/C16H19N3O2/c1-11-18-14(13-4-2-12(9-20)3-5-13)8-15(19-11)16-10-21-7-6-17-16/h2-5,8,16-17,20H,6-7,9-10H2,1H3/t16-/m1/s1
InChIKeyBTBRHWONLGDKIM-MRXNPFEDSA-N
XLogP1.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
CID 95826489
3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide
CID 110257855
N-[(4-fluorophenyl)methyl]-2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
CID 95826543
1-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)piperidin-4-ol
CID 127244719
2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-[(3R)-morpholin-3-yl]pyrimidin-4-amine
CID 95826419
(3S)-3-(2-methyl-1,3-thiazol-4-yl)morpholine
CID 96626970
2-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-6-[(3S)-morpholin-3-yl]pyrimidin-4-amine
CID 95826422
3-(1,2-oxazol-3-yl)morpholine
CID 82595372
3-pyridin-2-ylmorpholine
CID 54247101
6-[(3R)-morpholin-3-yl]pyridin-3-ol
CID 55274122
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502

Frequently Asked Questions

What is the IUPAC name of [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol (CID 95826547) is [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol is Cc1nc(-c2ccc(CO)cc2)cc([C@H]2COCCN2)n1.
What is the InChIKey of [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol?
The InChIKey is BTBRHWONLGDKIM-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-18-14(13-4-2-12(9-20)3-5-13)8-15(19-11)16-10-21-7-6-17-16/h2-5,8,16-17,20H,6-7,9-10H2,1H3/t16-/m1/s1.
What are the key properties of [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol?
[4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol has a molecular weight of 285.35 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methyl-6-[(3S)-morpholin-3-yl]pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 95826547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).