(2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol

C15H20N4O2 — CID 58617116

IUPAC(2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCOc1cncc(-c2cncc(N[C@H](CO)C(C)C)n2)c1
InChIInChI=1S/C15H20N4O2/c1-10(2)14(9-20)19-15-8-17-7-13(18-15)11-4-12(21-3)6-16-5-11/h4-8,10,14,20H,9H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyUKDDFKLTWPUQBZ-CQSZACIVSA-N
MW288.35 g/mol
LogP1.98
Rot. Bonds6

About (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol

(2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol (PubChem CID 58617116) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
PubChem CID58617116
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol
SMILESCOc1cncc(-c2cncc(N[C@H](CO)C(C)C)n2)c1
InChIInChI=1S/C15H20N4O2/c1-10(2)14(9-20)19-15-8-17-7-13(18-15)11-4-12(21-3)6-16-5-11/h4-8,10,14,20H,9H2,1-3H3,(H,18,19)/t14-/m1/s1
InChIKeyUKDDFKLTWPUQBZ-CQSZACIVSA-N
XLogP1.98
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol (CID 58617116) is (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol is COc1cncc(-c2cncc(N[C@H](CO)C(C)C)n2)c1.
What is the InChIKey of (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
The InChIKey is UKDDFKLTWPUQBZ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)14(9-20)19-15-8-17-7-13(18-15)11-4-12(21-3)6-16-5-11/h4-8,10,14,20H,9H2,1-3H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol?
(2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol has a molecular weight of 288.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[6-(5-methoxy-3-pyridinyl)pyrazin-2-yl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 58617116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).