3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol

C15H18ClN3O2 — CID 133400269

IUPAC3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
SMILESCOc1ncc(Cl)c(NC(C)C(O)Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-10(13(20)8-11-6-4-3-5-7-11)18-14-12(16)9-17-15(19-14)21-2/h3-7,9-10,13,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyYUSMZERGVZWRSF-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.54
Rot. Bonds6

About 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol

3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol (PubChem CID 133400269) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
PubChem CID133400269
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol
SMILESCOc1ncc(Cl)c(NC(C)C(O)Cc2ccccc2)n1
InChIInChI=1S/C15H18ClN3O2/c1-10(13(20)8-11-6-4-3-5-7-11)18-14-12(16)9-17-15(19-14)21-2/h3-7,9-10,13,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyYUSMZERGVZWRSF-UHFFFAOYSA-N
XLogP2.54
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]pyrimidin-4-amine
CID 96542363
5-chloro-2-methoxy-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80757935
N-[1-(4-bromophenyl)ethyl]-5-chloro-2-methoxypyrimidin-4-amine
CID 80758542
2-N-(5-chloro-2-methoxypyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82938019
5-chloro-2-methoxy-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 106231241
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N-methylpropanamide
CID 80758540
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
1-phenyl-3-(pyridin-2-ylamino)butan-2-ol
CID 133400189
5-chloro-N-(1-chloro-3-methoxypropan-2-yl)-2-methoxypyrimidin-4-amine
CID 106181795
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-N,3-dimethylbutanamide
CID 133394626
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-4-methoxybutan-1-ol
CID 106157779
3-[(5-methylquinazolin-4-yl)amino]-1-phenylbutan-2-ol
CID 133397480

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol?
The IUPAC name of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol (CID 133400269) is 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol.
What is the SMILES notation for 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol?
The canonical SMILES for 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol is COc1ncc(Cl)c(NC(C)C(O)Cc2ccccc2)n1.
What is the InChIKey of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol?
The InChIKey is YUSMZERGVZWRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10(13(20)8-11-6-4-3-5-7-11)18-14-12(16)9-17-15(19-14)21-2/h3-7,9-10,13,20H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol?
3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol has a molecular weight of 307.78 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-1-phenylbutan-2-ol is sourced from PubChem (CID 133400269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).