1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol

C12H21N3O — CID 107151105

IUPAC1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCc1ccc(N)c(NCC(O)CC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)6-10(16)7-14-12-11(13)5-4-9(3)15-12/h4-5,8,10,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyKWMULJAPCIYLTA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds5

About 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol

1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 107151105) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID107151105
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCc1ccc(N)c(NCC(O)CC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)6-10(16)7-14-12-11(13)5-4-9(3)15-12/h4-5,8,10,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyKWMULJAPCIYLTA-UHFFFAOYSA-N
XLogP1.79
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-N-(4-methylpentan-2-yl)pyridine-2,3-diamine
CID 81132188
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
1-(2-amino-5-chloroanilino)-4-methylpentan-2-ol
CID 107151018
1-[(6-amino-2-methylpyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159769
2-[(3-amino-6-methyl-2-pyridinyl)amino]propane-1,3-diol
CID 81132463
6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 81132129
5-[(3-amino-6-methyl-2-pyridinyl)amino]pentan-1-ol
CID 82057663
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]-6-methylpyridin-3-ol
CID 103645101

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol (CID 107151105) is 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol is Cc1ccc(N)c(NCC(O)CC(C)C)n1.
What is the InChIKey of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is KWMULJAPCIYLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)6-10(16)7-14-12-11(13)5-4-9(3)15-12/h4-5,8,10,16H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107151105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).