2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

C15H18ClN3O — CID 105058672

IUPAC2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCCc1c(Cl)ncnc1NC(C)(CO)c1ccccc1
InChIInChI=1S/C15H18ClN3O/c1-3-12-13(16)17-10-18-14(12)19-15(2,9-20)11-7-5-4-6-8-11/h4-8,10,20H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyWLRZBQZAWBOINR-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.01
Rot. Bonds5

About 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (PubChem CID 105058672) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
PubChem CID105058672
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCCc1c(Cl)ncnc1NC(C)(CO)c1ccccc1
InChIInChI=1S/C15H18ClN3O/c1-3-12-13(16)17-10-18-14(12)19-15(2,9-20)11-7-5-4-6-8-11/h4-8,10,20H,3,9H2,1-2H3,(H,17,18,19)
InChIKeyWLRZBQZAWBOINR-UHFFFAOYSA-N
XLogP3.01
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 105058642
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
2-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 102686736
2-[(3-bromo-4-methyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 106875996
2-(isoquinolin-1-ylamino)-2-phenylpropan-1-ol
CID 105058581
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 106973096
6-chloro-5-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 63729574
2-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060917
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-[(6-ethoxy-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058536
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (CID 105058672) is 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is CCc1c(Cl)ncnc1NC(C)(CO)c1ccccc1.
What is the InChIKey of 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The InChIKey is WLRZBQZAWBOINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-3-12-13(16)17-10-18-14(12)19-15(2,9-20)11-7-5-4-6-8-11/h4-8,10,20H,3,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 105058672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).