2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine

C11H17ClN4 — CID 97164149

IUPAC2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCCN1)c1ccnc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-16(8-9-4-2-3-6-13-9)10-5-7-14-11(12)15-10/h5,7,9,13H,2-4,6,8H2,1H3/t9-/m0/s1
InChIKeyCSHSSTZOHARLNH-VIFPVBQESA-N
MW240.74 g/mol
LogP1.71
Rot. Bonds3

About 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine

2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 97164149) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID97164149
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCN(C[C@@H]1CCCCN1)c1ccnc(Cl)n1
InChIInChI=1S/C11H17ClN4/c1-16(8-9-4-2-3-6-13-9)10-5-7-14-11(12)15-10/h5,7,9,13H,2-4,6,8H2,1H3/t9-/m0/s1
InChIKeyCSHSSTZOHARLNH-VIFPVBQESA-N
XLogP1.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
7-chloro-N-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642173
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
N-[(2,4-dichloropyrimidin-5-yl)methyl]-N-methyl-1-[(2S)-piperidin-2-yl]methanamine
CID 97164237
2-[methyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 71641983
N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine (CID 97164149) is 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine is CN(C[C@@H]1CCCCN1)c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is CSHSSTZOHARLNH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17ClN4/c1-16(8-9-4-2-3-6-13-9)10-5-7-14-11(12)15-10/h5,7,9,13H,2-4,6,8H2,1H3/t9-/m0/s1.
What are the key properties of 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 240.74 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97164149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).