(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol

C12H16N4O — CID 79839054

IUPAC(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccc2nccnc2n1
InChIInChI=1S/C12H16N4O/c1-8(2)10(7-17)15-11-4-3-9-12(16-11)14-6-5-13-9/h3-6,8,10,17H,7H2,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKeyNXGCRJLRQCMNNX-SNVBAGLBSA-N
MW232.29 g/mol
LogP1.45
Rot. Bonds4

About (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol

(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol (PubChem CID 79839054) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol.

Molecular Properties

Compound Name(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol
PubChem CID79839054
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol
SMILESCC(C)[C@@H](CO)Nc1ccc2nccnc2n1
InChIInChI=1S/C12H16N4O/c1-8(2)10(7-17)15-11-4-3-9-12(16-11)14-6-5-13-9/h3-6,8,10,17H,7H2,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKeyNXGCRJLRQCMNNX-SNVBAGLBSA-N
XLogP1.45
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol?
The IUPAC name of (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol (CID 79839054) is (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol.
What is the SMILES notation for (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol?
The canonical SMILES for (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol is CC(C)[C@@H](CO)Nc1ccc2nccnc2n1.
What is the InChIKey of (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol?
The InChIKey is NXGCRJLRQCMNNX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(2)10(7-17)15-11-4-3-9-12(16-11)14-6-5-13-9/h3-6,8,10,17H,7H2,1-2H3,(H,14,15,16)/t10-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol?
(2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(pyrido[2,3-b]pyrazin-6-ylamino)butan-1-ol is sourced from PubChem (CID 79839054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).