2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine

C15H20N6O — CID 122139046

IUPAC2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-22-14-4-5-16-15(17-14)21-8-6-20(7-9-21)13-10-12(18-19-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,19)
InChIKeyADSLJPMJKAWQMJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.41
Rot. Bonds4

About 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine

2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine (PubChem CID 122139046) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
PubChem CID122139046
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine
SMILESCOc1ccnc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-22-14-4-5-16-15(17-14)21-8-6-20(7-9-21)13-10-12(18-19-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,19)
InChIKeyADSLJPMJKAWQMJ-UHFFFAOYSA-N
XLogP1.41
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 51104275
2-cyclopropyl-4-ethyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154828961
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
4-[6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 154575576
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 154575579
trans-(1R,2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]cyclobutan-1-ol
CID 167811246
5-cyclopropyl-3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 47528091
2-[4-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]piperidin-1-yl]-4,6-dimethylpyrimidine
CID 24737031
4-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-methylpyrimidine
CID 154582519
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 154575618
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine?
The IUPAC name of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine (CID 122139046) is 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine.
What is the SMILES notation for 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine?
The canonical SMILES for 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine is COc1ccnc(N2CCN(c3cc(C4CC4)[nH]n3)CC2)n1.
What is the InChIKey of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine?
The InChIKey is ADSLJPMJKAWQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-22-14-4-5-16-15(17-14)21-8-6-20(7-9-21)13-10-12(18-19-13)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine?
2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine has a molecular weight of 300.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazin-1-yl]-4-methoxypyrimidine is sourced from PubChem (CID 122139046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).