2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol

C15H23FN4O2 — CID 131931388

IUPAC2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESCOc1nc(N2CCN(CC3CC3)C(CCO)C2)ncc1F
InChIInChI=1S/C15H23FN4O2/c1-22-14-13(16)8-17-15(18-14)20-6-5-19(9-11-2-3-11)12(10-20)4-7-21/h8,11-12,21H,2-7,9-10H2,1H3
InChIKeyXBPKTJKULMHZKV-UHFFFAOYSA-N
MW310.37 g/mol
LogP0.91
Rot. Bonds6

About 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol

2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol (PubChem CID 131931388) has the molecular formula C15H23FN4O2 and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
PubChem CID131931388
Molecular FormulaC15H23FN4O2
Molecular Weight310.37 g/mol
Exact Mass310.18
IUPAC Name2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESCOc1nc(N2CCN(CC3CC3)C(CCO)C2)ncc1F
InChIInChI=1S/C15H23FN4O2/c1-22-14-13(16)8-17-15(18-14)20-6-5-19(9-11-2-3-11)12(10-20)4-7-21/h8,11-12,21H,2-7,9-10H2,1H3
InChIKeyXBPKTJKULMHZKV-UHFFFAOYSA-N
XLogP0.91
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
2-[(2S)-4-(5-fluoropyrimidin-2-yl)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 95896806
3-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid;formic acid
CID 154916587
[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 97192875
1-[(3R,4S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134711555
[1-(5-fluoro-4-methoxypyrimidin-2-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 135098500
5-fluoro-4-methoxy-2-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
CID 134704475
N-[(2,4-dichlorophenyl)methyl]-1-(5-fluoro-4-methoxypyrimidin-2-yl)pyrrolidin-3-amine
CID 66855357
2-[1-(cyclopropylmethyl)-4-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)piperazin-2-yl]ethanol;dihydrochloride
CID 154884672
2-[(2S)-1-(cyclopropylmethyl)-4-(1-methyl-6-pyridin-4-ylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 98769620
2-[1-(cyclohexylmethyl)-4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperazin-2-yl]ethanol
CID 45199441
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]methanol
CID 103726655

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol (CID 131931388) is 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol is COc1nc(N2CCN(CC3CC3)C(CCO)C2)ncc1F.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol?
The InChIKey is XBPKTJKULMHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O2/c1-22-14-13(16)8-17-15(18-14)20-6-5-19(9-11-2-3-11)12(10-20)4-7-21/h8,11-12,21H,2-7,9-10H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol?
2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol has a molecular weight of 310.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-4-(5-fluoro-4-methoxypyrimidin-2-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 131931388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).