[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine

C10H15ClN4 — CID 97162738

IUPAC[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(N2CC[C@@H](CN)C2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-4-9(14-10(11)13-7)15-3-2-8(5-12)6-15/h4,8H,2-3,5-6,12H2,1H3/t8-/m0/s1
InChIKeyDSFSUVSHWLDPMD-QMMMGPOBSA-N
MW226.71 g/mol
LogP1.22
Rot. Bonds2

About [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine

[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 97162738) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID97162738
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCc1cc(N2CC[C@@H](CN)C2)nc(Cl)n1
InChIInChI=1S/C10H15ClN4/c1-7-4-9(14-10(11)13-7)15-3-2-8(5-12)6-15/h4,8H,2-3,5-6,12H2,1H3/t8-/m0/s1
InChIKeyDSFSUVSHWLDPMD-QMMMGPOBSA-N
XLogP1.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268
1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-amine;hydrochloride
CID 71638277
[1-(2-chloro-6-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]methanamine
CID 95928667
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
methyl 4-[3-(aminomethyl)piperidin-1-yl]-6-methylpyrimidine-2-carboxylate
CID 66286109
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
[(3S)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342103
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845
[(3R)-1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]methanamine
CID 87263242
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
CID 24698861

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine (CID 97162738) is [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine is Cc1cc(N2CC[C@@H](CN)C2)nc(Cl)n1.
What is the InChIKey of [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is DSFSUVSHWLDPMD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15ClN4/c1-7-4-9(14-10(11)13-7)15-3-2-8(5-12)6-15/h4,8H,2-3,5-6,12H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine?
[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 226.71 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 97162738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).