N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine

C9H14ClN3 — CID 94454151

IUPACN-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCC[C@H](C)Nc1cc(Cl)nc(C)n1
InChIInChI=1S/C9H14ClN3/c1-4-6(2)11-9-5-8(10)12-7(3)13-9/h5-6H,4H2,1-3H3,(H,11,12,13)/t6-/m0/s1
InChIKeyYRURUYHCAMSVBQ-LURJTMIESA-N
MW199.69 g/mol
LogP2.65
Rot. Bonds3

About N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine

N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine (PubChem CID 94454151) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
PubChem CID94454151
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC NameN-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine
SMILESCC[C@H](C)Nc1cc(Cl)nc(C)n1
InChIInChI=1S/C9H14ClN3/c1-4-6(2)11-9-5-8(10)12-7(3)13-9/h5-6H,4H2,1-3H3,(H,11,12,13)/t6-/m0/s1
InChIKeyYRURUYHCAMSVBQ-LURJTMIESA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-butan-2-yl-6-N-(3,5-dichlorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868395
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
6-chloro-2-methyl-N-pent-4-yn-2-ylpyrimidin-4-amine
CID 103705061
6-chloro-N-hex-5-yn-3-yl-2-methylpyrimidin-4-amine
CID 103703612
2-(butan-2-ylamino)-6-chloropyridine-4-carboxylic acid
CID 21430349
6-(azepan-1-yl)-N-butan-2-yl-2-methylpyrimidin-4-amine
CID 112868302
4-N-butan-2-yl-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112868240
6-(butan-2-ylamino)-2-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109362412
N-butan-2-yl-6-chloro-2-(oxolan-2-yl)pyrimidin-4-amine
CID 82463293
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
4-N-butan-2-yl-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112868253
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine?
The IUPAC name of N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine (CID 94454151) is N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine is CC[C@H](C)Nc1cc(Cl)nc(C)n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine?
The InChIKey is YRURUYHCAMSVBQ-LURJTMIESA-N. The full InChI is InChI=1S/C9H14ClN3/c1-4-6(2)11-9-5-8(10)12-7(3)13-9/h5-6H,4H2,1-3H3,(H,11,12,13)/t6-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine?
N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine has a molecular weight of 199.69 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-6-chloro-2-methylpyrimidin-4-amine is sourced from PubChem (CID 94454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).