4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine

C13H20ClN3 — CID 175661191

IUPAC4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine
SMILESCC(C)N1CCC(Cc2cc(Cl)ncn2)CC1
InChIInChI=1S/C13H20ClN3/c1-10(2)17-5-3-11(4-6-17)7-12-8-13(14)16-9-15-12/h8-11H,3-7H2,1-2H3
InChIKeyQNVLNEMBLZYHRY-UHFFFAOYSA-N
MW253.78 g/mol
LogP2.79
Rot. Bonds3

About 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine

4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine (PubChem CID 175661191) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine
PubChem CID175661191
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine
SMILESCC(C)N1CCC(Cc2cc(Cl)ncn2)CC1
InChIInChI=1S/C13H20ClN3/c1-10(2)17-5-3-11(4-6-17)7-12-8-13(14)16-9-15-12/h8-11H,3-7H2,1-2H3
InChIKeyQNVLNEMBLZYHRY-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(6-chloropyrimidin-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 167995722
(4R)-4-[(6-chloropyrimidin-4-yl)methyl]-1-methylsulfonylazepane
CID 95804540
4-methyl-2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]-1,3-thiazole
CID 110100455
3-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105492
2-[6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidin-4-yl]benzoic acid
CID 118741461
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
5-[6-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-yl]pyridine-3-carboxylic acid
CID 110120453
6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyridazin-4-amine
CID 117105486
[3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092392
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-amine
CID 117157767
5-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine
CID 122607446
2-chloro-4-(1-propan-2-ylpiperidin-4-yl)pyridine
CID 66509908

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine?
The IUPAC name of 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine (CID 175661191) is 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine is CC(C)N1CCC(Cc2cc(Cl)ncn2)CC1.
What is the InChIKey of 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine?
The InChIKey is QNVLNEMBLZYHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-10(2)17-5-3-11(4-6-17)7-12-8-13(14)16-9-15-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine?
4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine has a molecular weight of 253.78 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrimidine is sourced from PubChem (CID 175661191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).