5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine

C8H12ClN3 — CID 100590896

IUPAC5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine
SMILESCC[C@H](C)c1c(N)ncnc1Cl
InChIInChI=1S/C8H12ClN3/c1-3-5(2)6-7(9)11-4-12-8(6)10/h4-5H,3H2,1-2H3,(H2,10,11,12)/t5-/m0/s1
InChIKeyVSTYHZPRBZJVIV-YFKPBYRVSA-N
MW185.66 g/mol
LogP2.23
Rot. Bonds2

About 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine

5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine (PubChem CID 100590896) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine
PubChem CID100590896
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine
SMILESCC[C@H](C)c1c(N)ncnc1Cl
InChIInChI=1S/C8H12ClN3/c1-3-5(2)6-7(9)11-4-12-8(6)10/h4-5H,3H2,1-2H3,(H2,10,11,12)/t5-/m0/s1
InChIKeyVSTYHZPRBZJVIV-YFKPBYRVSA-N
XLogP2.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
5-butyl-6-chloropyrimidin-4-amine
CID 100590844
5-butan-2-ylpyrimidin-4-amine
CID 176568045
4-N,4-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80767161
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
1,2,3,4,5,6-hexa(butan-2-yl)benzene
CID 21482675
6-butan-2-yl-5,7-dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 59028654
4-N-butan-2-yl-5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80776680
4-N-(2-methylpropyl)-4-N-pentan-3-yl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80849502
4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
CID 159878349
5-ethyl-4-N-(3-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80803162
6-heptoxy-5-propan-2-ylpyrimidin-4-amine
CID 80861295

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine?
The IUPAC name of 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine (CID 100590896) is 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine.
What is the SMILES notation for 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine?
The canonical SMILES for 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine is CC[C@H](C)c1c(N)ncnc1Cl.
What is the InChIKey of 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine?
The InChIKey is VSTYHZPRBZJVIV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12ClN3/c1-3-5(2)6-7(9)11-4-12-8(6)10/h4-5H,3H2,1-2H3,(H2,10,11,12)/t5-/m0/s1.
What are the key properties of 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine?
5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine has a molecular weight of 185.66 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-butan-2-yl]-6-chloropyrimidin-4-amine is sourced from PubChem (CID 100590896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).