2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine

C11H15Cl2N3O — CID 118943873

IUPAC2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
SMILESCOC1CCCN(Cc2cnc(Cl)nc2Cl)C1
InChIInChI=1S/C11H15Cl2N3O/c1-17-9-3-2-4-16(7-9)6-8-5-14-11(13)15-10(8)12/h5,9H,2-4,6-7H2,1H3
InChIKeyWCGZYEHUVUXEHE-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.39
Rot. Bonds3

About 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine

2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine (PubChem CID 118943873) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
PubChem CID118943873
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine
SMILESCOC1CCCN(Cc2cnc(Cl)nc2Cl)C1
InChIInChI=1S/C11H15Cl2N3O/c1-17-9-3-2-4-16(7-9)6-8-5-14-11(13)15-10(8)12/h5,9H,2-4,6-7H2,1H3
InChIKeyWCGZYEHUVUXEHE-UHFFFAOYSA-N
XLogP2.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
CID 118936843
1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71644389
2,4-dichloro-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]pyrimidine
CID 118943869
4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
CID 174210212
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
6-[(3-methoxypiperidin-1-yl)methyl]pyridin-3-amine
CID 102963724
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
tert-butyl N-[1-[(2,4-dichloropyrimidin-5-yl)methyl]pyrrolidin-3-yl]carbamate
CID 71632178
6-chloro-3-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-2-methylpyridine
CID 170037706
2-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 102959653
1-[2-(4-chlorophenoxy)ethyl]-3-methoxypiperidine
CID 45252246

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine (CID 118943873) is 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine is COC1CCCN(Cc2cnc(Cl)nc2Cl)C1.
What is the InChIKey of 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine?
The InChIKey is WCGZYEHUVUXEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-17-9-3-2-4-16(7-9)6-8-5-14-11(13)15-10(8)12/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine?
2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine has a molecular weight of 276.17 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3-methoxypiperidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 118943873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).