4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride

C11H18Cl2N4 — CID 71640856

IUPAC4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
SMILESCc1cc(Cl)nc(N(C)[C@@H]2CCCNC2)n1.Cl
InChIInChI=1S/C11H17ClN4.ClH/c1-8-6-10(12)15-11(14-8)16(2)9-4-3-5-13-7-9;/h6,9,13H,3-5,7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyBVUDGIPKMBHPGY-SBSPUUFOSA-N
MW277.20 g/mol
LogP2.05
Rot. Bonds2

About 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride

4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride (PubChem CID 71640856) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
PubChem CID71640856
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride
SMILESCc1cc(Cl)nc(N(C)[C@@H]2CCCNC2)n1.Cl
InChIInChI=1S/C11H17ClN4.ClH/c1-8-6-10(12)15-11(14-8)16(2)9-4-3-5-13-7-9;/h6,9,13H,3-5,7H2,1-2H3;1H/t9-;/m1./s1
InChIKeyBVUDGIPKMBHPGY-SBSPUUFOSA-N
XLogP2.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
4-chloro-6-methyl-2-[(3S)-piperidin-3-yl]oxypyrimidine;hydrochloride
CID 71638492
6-chloro-N-methyl-N-piperidin-3-ylpyridazin-3-amine
CID 63642703
2-chloro-N,6-dimethyl-N-[(3S)-pyrrolidin-3-yl]pyrimidin-4-amine
CID 71641175
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
N-(1,4-dimethylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106551810
N,6-dimethyl-N-piperidin-3-ylpyridazin-3-amine
CID 63643935
5-ethyl-N-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116977534
3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 71641080
N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine
CID 166324131
6-chloro-N-methyl-2-methylsulfanyl-N-pyrrolidin-3-ylpyrimidin-4-amine;hydrochloride
CID 71643140

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride (CID 71640856) is 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride is Cc1cc(Cl)nc(N(C)[C@@H]2CCCNC2)n1.Cl.
What is the InChIKey of 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride?
The InChIKey is BVUDGIPKMBHPGY-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H17ClN4.ClH/c1-8-6-10(12)15-11(14-8)16(2)9-4-3-5-13-7-9;/h6,9,13H,3-5,7H2,1-2H3;1H/t9-;/m1./s1.
What are the key properties of 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride?
4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride has a molecular weight of 277.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,6-dimethyl-N-[(3R)-piperidin-3-yl]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 71640856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).