4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

C14H17N5O — CID 56810279

IUPAC4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C14H17N5O/c1-20-13-5-7-16-14(17-13)19-10-8-18(9-11-19)12-4-2-3-6-15-12/h2-7H,8-11H2,1H3
InChIKeyILRVGRXHAOKGSK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.21
Rot. Bonds3

About 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine

4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 56810279) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
PubChem CID56810279
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
SMILESCOc1ccnc(N2CCN(c3ccccn3)CC2)n1
InChIInChI=1S/C14H17N5O/c1-20-13-5-7-16-14(17-13)19-10-8-18(9-11-19)12-4-2-3-6-15-12/h2-7H,8-11H2,1H3
InChIKeyILRVGRXHAOKGSK-UHFFFAOYSA-N
XLogP1.21
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,6-Dimethoxy-2-pyrimidinyl)-N-[3-(trifluoromethyl)-2-pyridinyl]urea
CID 137700577
4,6-Dimethoxy-N-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrimidinamine
CID 138755794
4-(4-Methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129883
4-(2-Methoxypyridin-3-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131556
6-methoxy-N-[(E)-1-pyridin-2-ylethylideneamino]pyrimidin-4-amine
CID 162658779
Methyl 2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinyl ether
CID 1475334
[1-(4-Methoxy-2-pyridinyl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487846
US10196391, Example 99
CID 121455938
US10196391, Example 71
CID 121455986
6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(4-methoxy-2-pyridyl)-2-phenyl-pyrimidin-4-amine
CID 70681212
6-methoxy-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidin-4-amine
CID 162657292
1-[1-(4-Methoxy-2-pyridinyl)piperidin-4-yl]-3-pyridin-3-ylthiourea
CID 148798224

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine (CID 56810279) is 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is COc1ccnc(N2CCN(c3ccccn3)CC2)n1.
What is the InChIKey of 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is ILRVGRXHAOKGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-13-5-7-16-14(17-13)19-10-8-18(9-11-19)12-4-2-3-6-15-12/h2-7H,8-11H2,1H3.
What are the key properties of 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine?
4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 271.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 56810279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).