1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol

C14H15Cl2N3O2 — CID 133472194

IUPAC1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol
SMILESCOc1ncc(Cl)c(NCC(C)(O)c2ccccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(20,9-5-3-4-6-10(9)15)8-18-12-11(16)7-17-13(19-12)21-2/h3-7,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyDONBQVMPVFEAGW-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.11
Rot. Bonds5

About 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol

1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol (PubChem CID 133472194) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol
PubChem CID133472194
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol
SMILESCOc1ncc(Cl)c(NCC(C)(O)c2ccccc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O2/c1-14(20,9-5-3-4-6-10(9)15)8-18-12-11(16)7-17-13(19-12)21-2/h3-7,20H,8H2,1-2H3,(H,17,18,19)
InChIKeyDONBQVMPVFEAGW-UHFFFAOYSA-N
XLogP3.11
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80757838
5-chloro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 80746872
5-chloro-2-methoxy-N-(4-methoxy-2,2-dimethylbutyl)pyrimidin-4-amine
CID 104624132
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
2-[(5-chloro-2-methoxypyrimidin-4-yl)amino]ethanol
CID 80758347
5-chloro-2-methoxy-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 80711807
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
5-[(5-chloro-2-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107302432
N-tert-butyl-3-[(5-chloro-2-methoxypyrimidin-4-yl)amino]propanamide
CID 112700846
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 80758182
5-chloro-2-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidin-4-amine
CID 80758368
5-chloro-N-(2-cyclobutylethyl)-2-methoxypyrimidin-4-amine
CID 115733688

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
The IUPAC name of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol (CID 133472194) is 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol.
What is the SMILES notation for 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
The canonical SMILES for 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol is COc1ncc(Cl)c(NCC(C)(O)c2ccccc2Cl)n1.
What is the InChIKey of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
The InChIKey is DONBQVMPVFEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-14(20,9-5-3-4-6-10(9)15)8-18-12-11(16)7-17-13(19-12)21-2/h3-7,20H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol?
1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol has a molecular weight of 328.20 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2-(2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 133472194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).