(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C11H18ClN3O — CID 80936381

IUPAC(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCCc1nc(Cl)cc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-10-14-9(12)5-11(15-10)13-8(6-16)7(2)3/h5,7-8,16H,4,6H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyJXPROYMTOZEWDZ-MRVPVSSYSA-N
MW243.74 g/mol
LogP2.12
Rot. Bonds5

About (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 80936381) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID80936381
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCCc1nc(Cl)cc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C11H18ClN3O/c1-4-10-14-9(12)5-11(15-10)13-8(6-16)7(2)3/h5,7-8,16H,4,6H2,1-3H3,(H,13,14,15)/t8-/m1/s1
InChIKeyJXPROYMTOZEWDZ-MRVPVSSYSA-N
XLogP2.12
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
6-chloro-2-ethyl-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 80936336
6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 78971397
6-chloro-2-ethyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80935562
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
2-ethyl-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrimidin-6-one
CID 136949432
2-[(2,6-dichloropyrimidin-4-yl)amino]propan-1-ol
CID 90302031
3-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 114145568
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
4-chloro-2,6-diethylpyrimidine
CID 43557605
N-(6-chloro-2-ethylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 80936890

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 80936381) is (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is CCc1nc(Cl)cc(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is JXPROYMTOZEWDZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-10-14-9(12)5-11(15-10)13-8(6-16)7(2)3/h5,7-8,16H,4,6H2,1-3H3,(H,13,14,15)/t8-/m1/s1.
What are the key properties of (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 243.74 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80936381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).