2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine

C14H16ClN5O — CID 71977837

IUPAC2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(c3ccncc3Cl)CC2)n1
InChIInChI=1S/C14H16ClN5O/c1-21-13-3-5-17-14(18-13)20-8-6-19(7-9-20)12-2-4-16-10-11(12)15/h2-5,10H,6-9H2,1H3
InChIKeyAKYVSSLHAZSYCB-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.86
Rot. Bonds3

About 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine

2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine (PubChem CID 71977837) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
PubChem CID71977837
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(c3ccncc3Cl)CC2)n1
InChIInChI=1S/C14H16ClN5O/c1-21-13-3-5-17-14(18-13)20-8-6-19(7-9-20)12-2-4-16-10-11(12)15/h2-5,10H,6-9H2,1H3
InChIKeyAKYVSSLHAZSYCB-UHFFFAOYSA-N
XLogP1.86
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
CID 133299214
5-chloro-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 133285999
5-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171993393
4-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridin-3-amine
CID 62959098
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-propan-2-yloxypyrazine
CID 167897148
2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815321
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262
2-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methoxypyrimidine
CID 133413516
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine (CID 71977837) is 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCN(c3ccncc3Cl)CC2)n1.
What is the InChIKey of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
The InChIKey is AKYVSSLHAZSYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-21-13-3-5-17-14(18-13)20-8-6-19(7-9-20)12-2-4-16-10-11(12)15/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine?
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine has a molecular weight of 305.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 71977837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).