(2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol

C10H14ClN3O — CID 90422444

IUPAC(2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol
SMILESCc1cc(N[C@H](CO)C2CC2)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-6-4-9(14-10(11)12-6)13-8(5-15)7-2-3-7/h4,7-8,15H,2-3,5H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyGEDNPZCZBGJDKA-MRVPVSSYSA-N
MW227.69 g/mol
LogP1.62
Rot. Bonds4

About (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol

(2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol (PubChem CID 90422444) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol.

Molecular Properties

Compound Name(2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol
PubChem CID90422444
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol
SMILESCc1cc(N[C@H](CO)C2CC2)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-6-4-9(14-10(11)12-6)13-8(5-15)7-2-3-7/h4,7-8,15H,2-3,5H2,1H3,(H,12,13,14)/t8-/m1/s1
InChIKeyGEDNPZCZBGJDKA-MRVPVSSYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-cyclohexylethyl)-6-methylpyrimidin-4-amine
CID 62483644
2-chloro-6-methyl-N-propan-2-ylpyrimidin-4-amine
CID 53385561
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
CID 71638564
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646
2-chloro-6-methyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71638563
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
3-[1-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-hydroxyethyl]cyclopentan-1-ol
CID 18706837
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]ethanol;ethane;2-methylpropane
CID 142930051
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107866488
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911292
4-[(2-chloro-6-methylpyrimidin-4-yl)amino]butan-1-ol
CID 106842931

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol?
The IUPAC name of (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol (CID 90422444) is (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol.
What is the SMILES notation for (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol?
The canonical SMILES for (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol is Cc1cc(N[C@H](CO)C2CC2)nc(Cl)n1.
What is the InChIKey of (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol?
The InChIKey is GEDNPZCZBGJDKA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6-4-9(14-10(11)12-6)13-8(5-15)7-2-3-7/h4,7-8,15H,2-3,5H2,1H3,(H,12,13,14)/t8-/m1/s1.
What are the key properties of (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol?
(2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol has a molecular weight of 227.69 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-cyclopropylethanol is sourced from PubChem (CID 90422444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).