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

C12H21N3O — CID 107151118

IUPAC1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCc1ccnc(NCC(O)CC(C)C)c1N
InChIInChI=1S/C12H21N3O/c1-8(2)6-10(16)7-15-12-11(13)9(3)4-5-14-12/h4-5,8,10,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyHPXPQZKQQRWVNP-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.79
Rot. Bonds5

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

1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol (PubChem CID 107151118) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
PubChem CID107151118
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
SMILESCc1ccnc(NCC(O)CC(C)C)c1N
InChIInChI=1S/C12H21N3O/c1-8(2)6-10(16)7-15-12-11(13)9(3)4-5-14-12/h4-5,8,10,16H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyHPXPQZKQQRWVNP-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

3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 65034190
1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151105
5-amino-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703841
ethyl 2-[(2-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylate
CID 104695418
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
3-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpropane-1,2-diol
CID 66170315
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
CID 107153295
1-[(5-amino-8-methylisoquinolin-1-yl)amino]propan-2-ol
CID 82570587
1-(3-amino-4-methylanilino)-4-methylpentan-2-ol
CID 107151145
2-[[(3-amino-4-methyl-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251492
1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol (CID 107151118) is 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol is Cc1ccnc(NCC(O)CC(C)C)c1N.
What is the InChIKey of 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
The InChIKey is HPXPQZKQQRWVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)6-10(16)7-15-12-11(13)9(3)4-5-14-12/h4-5,8,10,16H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol?
1-[(3-amino-4-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-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107151118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).