4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine

C11H17ClN4O — CID 121205984

IUPAC4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
SMILESCOCCN1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C11H17ClN4O/c1-17-7-6-15-2-4-16(5-3-15)11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyKIRPQWHHNKXPRR-UHFFFAOYSA-N
MW256.74 g/mol
LogP0.90
Rot. Bonds4

About 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine

4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine (PubChem CID 121205984) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
PubChem CID121205984
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine
SMILESCOCCN1CCN(c2cc(Cl)ncn2)CC1
InChIInChI=1S/C11H17ClN4O/c1-17-7-6-15-2-4-16(5-3-15)11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3
InChIKeyKIRPQWHHNKXPRR-UHFFFAOYSA-N
XLogP0.90
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
16-(6-chloropyrimidin-4-yl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11291813
4-chloro-6-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]pyrimidine
CID 93480988
3-[6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-5-propan-2-yloxy-7,7a-dihydro-1H-indazole
CID 130372076
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)pyrimidin-4-amine
CID 112856838
1-(6-chloropyrimidin-4-yl)piperidin-4-one;ethene
CID 22000286
4-[4-(2-methoxyethyl)piperazin-1-yl]-2,6-di(propan-2-yl)pyrimidine
CID 133408248
5-chloro-2-methoxy-4-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 130270914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine (CID 121205984) is 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine is COCCN1CCN(c2cc(Cl)ncn2)CC1.
What is the InChIKey of 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine?
The InChIKey is KIRPQWHHNKXPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-17-7-6-15-2-4-16(5-3-15)11-8-10(12)13-9-14-11/h8-9H,2-7H2,1H3.
What are the key properties of 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine?
4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine has a molecular weight of 256.74 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 121205984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).