(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol

C8H12ClN3O — CID 130617035

IUPAC(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
SMILESC[C@H](CCO)Nc1ncc(Cl)cn1
InChIInChI=1S/C8H12ClN3O/c1-6(2-3-13)12-8-10-4-7(9)5-11-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)/t6-/m1/s1
InChIKeySYIUNYXEQSMDTP-ZCFIWIBFSA-N
MW201.66 g/mol
LogP1.31
Rot. Bonds4

About (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol

(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol (PubChem CID 130617035) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
PubChem CID130617035
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol
SMILESC[C@H](CCO)Nc1ncc(Cl)cn1
InChIInChI=1S/C8H12ClN3O/c1-6(2-3-13)12-8-10-4-7(9)5-11-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)/t6-/m1/s1
InChIKeySYIUNYXEQSMDTP-ZCFIWIBFSA-N
XLogP1.31
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(5-chloropyrimidin-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82937690
5-chloro-N-pent-4-en-2-ylpyrimidin-2-amine
CID 115674175
2-[(5-chloropyrimidin-2-yl)amino]-4-methylpentan-1-ol
CID 79557211
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
5-chloro-N-(3-ethylpentan-2-yl)pyrimidin-2-amine
CID 79557732
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
CID 83187973
(2S)-2-[(5-fluoropyrimidin-2-yl)amino]propan-1-ol
CID 130680062
2-N-(5-chloropyrimidin-2-yl)pentane-2,3-diamine
CID 130892533
4-methyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858162
3-[(5-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 115774135
4,4-dimethyl-3-[(5-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103858207

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol?
The IUPAC name of (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol (CID 130617035) is (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol.
What is the SMILES notation for (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol?
The canonical SMILES for (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol is C[C@H](CCO)Nc1ncc(Cl)cn1.
What is the InChIKey of (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol?
The InChIKey is SYIUNYXEQSMDTP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6(2-3-13)12-8-10-4-7(9)5-11-8/h4-6,13H,2-3H2,1H3,(H,10,11,12)/t6-/m1/s1.
What are the key properties of (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol?
(3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol has a molecular weight of 201.66 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(5-chloropyrimidin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 130617035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).