4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine

C17H20FN5 — CID 163350112

IUPAC4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1cnccc1CN1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C17H20FN5/c18-15-10-19-4-3-14(15)11-22-5-7-23(8-6-22)17-9-16(13-1-2-13)20-12-21-17/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyIVZPCFKKMWDMCR-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.21
Rot. Bonds4

About 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine

4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 163350112) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID163350112
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine
SMILESFc1cnccc1CN1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C17H20FN5/c18-15-10-19-4-3-14(15)11-22-5-7-23(8-6-22)17-9-16(13-1-2-13)20-12-21-17/h3-4,9-10,12-13H,1-2,5-8,11H2
InChIKeyIVZPCFKKMWDMCR-UHFFFAOYSA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine (CID 163350112) is 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine is Fc1cnccc1CN1CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is IVZPCFKKMWDMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c18-15-10-19-4-3-14(15)11-22-5-7-23(8-6-22)17-9-16(13-1-2-13)20-12-21-17/h3-4,9-10,12-13H,1-2,5-8,11H2.
What are the key properties of 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine?
4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 313.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 163350112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).