(3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol

C12H21N3O — CID 99855079

IUPAC(3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol
SMILESCc1cnc(C)c(NCC[C@H](O)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)11(16)5-6-13-12-10(4)14-7-9(3)15-12/h7-8,11,16H,5-6H2,1-4H3,(H,13,15)/t11-/m0/s1
InChIKeyNXFKPTIMOKNLMG-NSHDSACASA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds5

About (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol

(3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol (PubChem CID 99855079) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol
PubChem CID99855079
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol
SMILESCc1cnc(C)c(NCC[C@H](O)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)11(16)5-6-13-12-10(4)14-7-9(3)15-12/h7-8,11,16H,5-6H2,1-4H3,(H,13,15)/t11-/m0/s1
InChIKeyNXFKPTIMOKNLMG-NSHDSACASA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol?
The IUPAC name of (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol (CID 99855079) is (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol.
What is the SMILES notation for (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol?
The canonical SMILES for (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol is Cc1cnc(C)c(NCC[C@H](O)C(C)C)n1.
What is the InChIKey of (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol?
The InChIKey is NXFKPTIMOKNLMG-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)11(16)5-6-13-12-10(4)14-7-9(3)15-12/h7-8,11,16H,5-6H2,1-4H3,(H,13,15)/t11-/m0/s1.
What are the key properties of (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol?
(3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol has a molecular weight of 223.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3,6-dimethylpyrazin-2-yl)amino]-4-methylpentan-3-ol is sourced from PubChem (CID 99855079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).