(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol

C7H10ClN3O — CID 130665412

IUPAC(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
SMILESN[C@@H](CCO)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O/c8-7-10-3-5(4-11-7)6(9)1-2-12/h3-4,6,12H,1-2,9H2/t6-/m0/s1
InChIKeyNKPWCVSGKQKRON-LURJTMIESA-N
MW187.63 g/mol
LogP0.51
Rot. Bonds3

About (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol

(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol (PubChem CID 130665412) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
PubChem CID130665412
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
SMILESN[C@@H](CCO)c1cnc(Cl)nc1
InChIInChI=1S/C7H10ClN3O/c8-7-10-3-5(4-11-7)6(9)1-2-12/h3-4,6,12H,1-2,9H2/t6-/m0/s1
InChIKeyNKPWCVSGKQKRON-LURJTMIESA-N
XLogP0.51
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
(3R)-3-amino-3-(3,5-dichlorophenyl)propan-1-ol;hydrochloride
CID 171202547
(3R)-3-amino-3-(6-bromo-3-pyridinyl)propan-1-ol;hydrochloride
CID 171203341
5-(1-amino-3-hydroxypropyl)pyridine-2-carbonitrile
CID 55293167
(3S)-3-amino-3-(6-ethoxy-3-pyridinyl)propan-1-ol
CID 55269772
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
CID 171224260
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol
CID 55291948
3-amino-3-(5-amino-3-pyridinyl)propan-1-ol
CID 55292622
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol (CID 130665412) is (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol is N[C@@H](CCO)c1cnc(Cl)nc1.
What is the InChIKey of (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol?
The InChIKey is NKPWCVSGKQKRON-LURJTMIESA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-7-10-3-5(4-11-7)6(9)1-2-12/h3-4,6,12H,1-2,9H2/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol?
(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol has a molecular weight of 187.63 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol is sourced from PubChem (CID 130665412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).