4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine

C18H23N5O — CID 172891247

IUPAC4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cccc(CN2CCN(c3cc(C4CC4)ncn3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-24-18-4-2-3-15(21-18)12-22-7-9-23(10-8-22)17-11-16(14-5-6-14)19-13-20-17/h2-4,11,13-14H,5-10,12H2,1H3
InChIKeyKJEAUIGPROSEQI-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.08
Rot. Bonds5

About 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine

4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 172891247) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID172891247
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1cccc(CN2CCN(c3cc(C4CC4)ncn3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-24-18-4-2-3-15(21-18)12-22-7-9-23(10-8-22)17-11-16(14-5-6-14)19-13-20-17/h2-4,11,13-14H,5-10,12H2,1H3
InChIKeyKJEAUIGPROSEQI-UHFFFAOYSA-N
XLogP2.08
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 172891247) is 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is COc1cccc(CN2CCN(c3cc(C4CC4)ncn3)CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is KJEAUIGPROSEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-24-18-4-2-3-15(21-18)12-22-7-9-23(10-8-22)17-11-16(14-5-6-14)19-13-20-17/h2-4,11,13-14H,5-10,12H2,1H3.
What are the key properties of 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 325.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 172891247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).