4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine

C11H16ClN3O — CID 129414399

IUPAC4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
SMILESCOC[C@H]1CCCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C11H16ClN3O/c1-16-7-9-3-2-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyWIAIZKNLANKVEK-VIFPVBQESA-N
MW241.72 g/mol
LogP1.99
Rot. Bonds3

About 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine

4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine (PubChem CID 129414399) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
PubChem CID129414399
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
SMILESCOC[C@H]1CCCN(c2cc(Cl)ncn2)C1
InChIInChI=1S/C11H16ClN3O/c1-16-7-9-3-2-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1
InChIKeyWIAIZKNLANKVEK-VIFPVBQESA-N
XLogP1.99
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002
4-[6-[3-(methoxymethyl)piperidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464582
2-[3-(methoxymethyl)piperidin-1-yl]pyridin-4-amine
CID 106585882
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 106588148
2-chloro-6-[3-(methoxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 106587160
N-[[5-chloro-2-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]cyclopropanamine
CID 106589167
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
CID 124832471

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine (CID 129414399) is 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine is COC[C@H]1CCCN(c2cc(Cl)ncn2)C1.
What is the InChIKey of 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine?
The InChIKey is WIAIZKNLANKVEK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-16-7-9-3-2-4-15(6-9)11-5-10(12)13-8-14-11/h5,8-9H,2-4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine?
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine has a molecular weight of 241.72 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 129414399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).