6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine

C14H23ClN4 — CID 80936193

IUPAC6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C14H23ClN4/c1-4-13-16-12(15)9-14(17-13)19(3)10-11-5-7-18(2)8-6-11/h9,11H,4-8,10H2,1-3H3
InChIKeyDRVVHKHDWIAPAB-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.47
Rot. Bonds4

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

6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80936193) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
PubChem CID80936193
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1
InChIInChI=1S/C14H23ClN4/c1-4-13-16-12(15)9-14(17-13)19(3)10-11-5-7-18(2)8-6-11/h9,11H,4-8,10H2,1-3H3
InChIKeyDRVVHKHDWIAPAB-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
6-chloro-2-cyclopropyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80951503
6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80951430
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
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
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
4-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 83156478
3-[[(6-chloro-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80945445

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine (CID 80936193) is 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is CCc1nc(Cl)cc(N(C)CC2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is DRVVHKHDWIAPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-4-13-16-12(15)9-14(17-13)19(3)10-11-5-7-18(2)8-6-11/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 282.82 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80936193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).