2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine

C10H17N3 — CID 93204113

IUPAC2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine
SMILESCC[C@@H](C)Nc1ncc(C)cc1N
InChIInChI=1S/C10H17N3/c1-4-8(3)13-10-9(11)5-7(2)6-12-10/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyILABLAFLIVYWED-MRVPVSSYSA-N
MW179.27 g/mol
LogP2.18
Rot. Bonds3

About 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine

2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine (PubChem CID 93204113) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine
PubChem CID93204113
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine
SMILESCC[C@@H](C)Nc1ncc(C)cc1N
InChIInChI=1S/C10H17N3/c1-4-8(3)13-10-9(11)5-7(2)6-12-10/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m1/s1
InChIKeyILABLAFLIVYWED-MRVPVSSYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-N-(5-methylhexan-2-yl)pyridine-2,3-diamine
CID 66278018
5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 64984981
5-methyl-2-N-(6-methylheptan-2-yl)pyridine-2,3-diamine
CID 66281281
2-N-(1-cyclopropylethyl)-5-methylpyridine-2,3-diamine
CID 66281048
N-butan-2-yl-5-methylpyrimidin-2-amine
CID 63208225
4-N-butan-2-yl-5-methylpyrimidine-2,4-diamine
CID 67950742
4-[(3-amino-5-methyl-2-pyridinyl)amino]butan-2-ol
CID 66278456
5-methyl-2-N-(1-thiophen-2-ylbutyl)pyridine-2,3-diamine
CID 66279967
2-N-[2-[ethyl(propyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 114133124
1-[(3-amino-5-methyl-2-pyridinyl)amino]-2-methylbutan-2-ol
CID 66278899
5-chloro-2-N-pent-4-yn-2-ylpyridine-2,3-diamine
CID 130535478
5-bromo-2-N-(1-methoxypropan-2-yl)pyridine-2,3-diamine
CID 61229631

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine (CID 93204113) is 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine is CC[C@@H](C)Nc1ncc(C)cc1N.
What is the InChIKey of 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine?
The InChIKey is ILABLAFLIVYWED-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-8(3)13-10-9(11)5-7(2)6-12-10/h5-6,8H,4,11H2,1-3H3,(H,12,13)/t8-/m1/s1.
What are the key properties of 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine?
2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine has a molecular weight of 179.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-butan-2-yl]-5-methylpyridine-2,3-diamine is sourced from PubChem (CID 93204113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).