6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

C15H25ClN4 — CID 80951430

IUPAC6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C15H25ClN4/c1-11(2)15-17-13(16)9-14(18-15)20(4)10-12-5-7-19(3)8-6-12/h9,11-12H,5-8,10H2,1-4H3
InChIKeyPTFFFKFPEDOQGQ-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.03
Rot. Bonds4

About 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951430) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951430
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C15H25ClN4/c1-11(2)15-17-13(16)9-14(18-15)20(4)10-12-5-7-19(3)8-6-12/h9,11-12H,5-8,10H2,1-4H3
InChIKeyPTFFFKFPEDOQGQ-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
2-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562605
4-N-methyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80828094
2-chloro-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyridine-4-carboxylic acid
CID 55170476
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 83156478
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63236339
2-cyclopropyl-4-N,6-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959120
[5-chloro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-4-pyridinyl]methanol
CID 114920398

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine (CID 80951430) is 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is PTFFFKFPEDOQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-11(2)15-17-13(16)9-14(18-15)20(4)10-12-5-7-19(3)8-6-12/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 296.85 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).