6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one

C15H18FN5O — CID 146078362

IUPAC6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one
SMILESCCc1ncnc(NCCn2cnc(C3CC3)cc2=O)c1F
InChIInChI=1S/C15H18FN5O/c1-2-11-14(16)15(19-8-18-11)17-5-6-21-9-20-12(7-13(21)22)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18,19)
InChIKeyYMIZVEHBMGIBNT-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.72
Rot. Bonds6

About 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one

6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one (PubChem CID 146078362) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one
PubChem CID146078362
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one
SMILESCCc1ncnc(NCCn2cnc(C3CC3)cc2=O)c1F
InChIInChI=1S/C15H18FN5O/c1-2-11-14(16)15(19-8-18-11)17-5-6-21-9-20-12(7-13(21)22)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18,19)
InChIKeyYMIZVEHBMGIBNT-UHFFFAOYSA-N
XLogP1.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
CID 46974097
1-[4-[6-(2-Aminoethyl)-2-cyclopropylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 46974238
1-(6-cyclopropylpyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 76146836
N-{2-[6-(4-Acetylpiperazin-1-YL)-2-cyclopropylpyrimidin-4-YL]ethyl}acetamide
CID 92550417
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]-2-methylpropanamide
CID 92553208
N-{2-[6-(4-Acetylpiperazin-1-YL)-2-cyclopropylpyrimidin-4-YL]ethyl}butanamide
CID 92586762
2-Methyl-6-(2-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}ethyl)pyrimidin-4-OL
CID 136185556
3-[(3R)-3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]-1-methylpyrazin-2-one
CID 129476655
2-{[6-(2-aminoethyl)pyrimidin-4-yl]amino}-N-(tert-butyl)acetamide
CID 56702333
6-cyclopropyl-N-{rel-(3R,4S)-1-[(methylamino)acetyl]-4-propyl-3-pyrrolidinyl}-4-pyrimidinamine dihydrochloride
CID 72877336
1-{2-[(6-Cyclopropylpyrimidin-4-YL)amino]ethyl}imidazolidin-2-one
CID 72897929
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one (CID 146078362) is 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one is CCc1ncnc(NCCn2cnc(C3CC3)cc2=O)c1F.
What is the InChIKey of 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one?
The InChIKey is YMIZVEHBMGIBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-2-11-14(16)15(19-8-18-11)17-5-6-21-9-20-12(7-13(21)22)10-3-4-10/h7-10H,2-6H2,1H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one?
6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one has a molecular weight of 303.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 146078362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).