2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine

C12H19ClN4 — CID 97164147

IUPAC2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(N(C)C[C@@H]2CCCCN2)nc(Cl)n1
InChIInChI=1S/C12H19ClN4/c1-9-7-11(16-12(13)15-9)17(2)8-10-5-3-4-6-14-10/h7,10,14H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyRSFVLEKUBHPSOJ-JTQLQIEISA-N
MW254.76 g/mol
LogP2.02
Rot. Bonds3

About 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine

2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine (PubChem CID 97164147) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
PubChem CID97164147
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
SMILESCc1cc(N(C)C[C@@H]2CCCCN2)nc(Cl)n1
InChIInChI=1S/C12H19ClN4/c1-9-7-11(16-12(13)15-9)17(2)8-10-5-3-4-6-14-10/h7,10,14H,3-6,8H2,1-2H3/t10-/m0/s1
InChIKeyRSFVLEKUBHPSOJ-JTQLQIEISA-N
XLogP2.02
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
2-chloro-N-methyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164149
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
methyl 4-methyl-6-[methyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-2-carboxylate
CID 106618710
2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856
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-dimethyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
CID 106642115
4-chloro-N-methyl-N-[[(2R)-piperidin-2-yl]methyl]pyrimidin-2-amine
CID 97164172
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine (CID 97164147) is 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine is Cc1cc(N(C)C[C@@H]2CCCCN2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is RSFVLEKUBHPSOJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19ClN4/c1-9-7-11(16-12(13)15-9)17(2)8-10-5-3-4-6-14-10/h7,10,14H,3-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine?
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 254.76 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 97164147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).