3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol

C11H20N4O — CID 106348219

IUPAC3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4O/c1-7(2)9(5-6-16)14-10-4-3-8(12)11(13)15-10/h3-4,7,9,16H,5-6,12H2,1-2H3,(H3,13,14,15)
InChIKeyDTPDUOCDMFULDM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.06
Rot. Bonds5

About 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol

3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol (PubChem CID 106348219) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
PubChem CID106348219
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4O/c1-7(2)9(5-6-16)14-10-4-3-8(12)11(13)15-10/h3-4,7,9,16H,5-6,12H2,1-2H3,(H3,13,14,15)
InChIKeyDTPDUOCDMFULDM-UHFFFAOYSA-N
XLogP1.06
TPSA97.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-butan-2-ylpyridine-2,3,6-triamine
CID 79822121
2-[(5-amino-6-propan-2-yloxy-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 79248203
6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine
CID 79826217
3-amino-6-[(1-hydroxy-3-methylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 103468731
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096
6-N-hexan-3-ylpyridine-2,3,6-triamine
CID 79826041
(2S)-2-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 79248758
3-[(4-amino-1,3-benzoxazol-2-yl)amino]-4-methylpentan-1-ol
CID 114176695
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
3-[(2,6-dimethylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 103703947
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
CID 113242419

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol (CID 106348219) is 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1ccc(N)c(N)n1.
What is the InChIKey of 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol?
The InChIKey is DTPDUOCDMFULDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9(5-6-16)14-10-4-3-8(12)11(13)15-10/h3-4,7,9,16H,5-6,12H2,1-2H3,(H3,13,14,15).
What are the key properties of 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol?
3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).