N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine

C20H24FN7 — CID 142630915

IUPACN'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C20H24FN7/c21-15-3-1-14(2-4-15)18-19(17-7-11-24-20(27-17)25-12-8-22)28(13-26-18)16-5-9-23-10-6-16/h1-4,7,11,13,16,23H,5-6,8-10,12,22H2,(H,24,25,27)
InChIKeyYJAOEQGZAFUIPV-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.44
Rot. Bonds6

About N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine

N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 142630915) has the molecular formula C20H24FN7 and a molecular weight of 381.46 g/mol. Its IUPAC name is N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID142630915
Molecular FormulaC20H24FN7
Molecular Weight381.46 g/mol
Exact Mass381.21
IUPAC NameN'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1
InChIInChI=1S/C20H24FN7/c21-15-3-1-14(2-4-15)18-19(17-7-11-24-20(27-17)25-12-8-22)28(13-26-18)16-5-9-23-10-6-16/h1-4,7,11,13,16,23H,5-6,8-10,12,22H2,(H,24,25,27)
InChIKeyYJAOEQGZAFUIPV-UHFFFAOYSA-N
XLogP2.44
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine (CID 142630915) is N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1.
What is the InChIKey of N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is YJAOEQGZAFUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7/c21-15-3-1-14(2-4-15)18-19(17-7-11-24-20(27-17)25-12-8-22)28(13-26-18)16-5-9-23-10-6-16/h1-4,7,11,13,16,23H,5-6,8-10,12,22H2,(H,24,25,27).
What are the key properties of N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 381.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 142630915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).