(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol

C12H21N3O2 — CID 114982569

IUPAC(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCCOc1cc(C)nc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-17-11-6-9(4)13-12(15-11)14-10(7-16)8(2)3/h6,8,10,16H,5,7H2,1-4H3,(H,13,14,15)/t10-/m1/s1
InChIKeyBBUOYLGIGYJHNW-SNVBAGLBSA-N
MW239.32 g/mol
LogP1.61
Rot. Bonds6

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

(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol (PubChem CID 114982569) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
PubChem CID114982569
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
SMILESCCOc1cc(C)nc(N[C@H](CO)C(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-5-17-11-6-9(4)13-12(15-11)14-10(7-16)8(2)3/h6,8,10,16H,5,7H2,1-4H3,(H,13,14,15)/t10-/m1/s1
InChIKeyBBUOYLGIGYJHNW-SNVBAGLBSA-N
XLogP1.61
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 112638162
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 79246753
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 113292972
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
N-(2-chloropropyl)-4-ethoxy-6-methylpyrimidin-2-amine
CID 112635580
4-ethoxy-6-methyl-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 106231121
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol (CID 114982569) is (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol is CCOc1cc(C)nc(N[C@H](CO)C(C)C)n1.
What is the InChIKey of (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
The InChIKey is BBUOYLGIGYJHNW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-17-11-6-9(4)13-12(15-11)14-10(7-16)8(2)3/h6,8,10,16H,5,7H2,1-4H3,(H,13,14,15)/t10-/m1/s1.
What are the key properties of (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol?
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 114982569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).