[3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol

C15H23FN4O — CID 70729342

IUPAC[3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCCC(CO)(CC3CC3)C2)ncc1F
InChIInChI=1S/C15H23FN4O/c1-17-13-12(16)8-18-14(19-13)20-6-2-5-15(9-20,10-21)7-11-3-4-11/h8,11,21H,2-7,9-10H2,1H3,(H,17,18,19)
InChIKeyRECANPQMZKQTKO-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.04
Rot. Bonds5

About [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol

[3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 70729342) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID70729342
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCCC(CO)(CC3CC3)C2)ncc1F
InChIInChI=1S/C15H23FN4O/c1-17-13-12(16)8-18-14(19-13)20-6-2-5-15(9-20,10-21)7-11-3-4-11/h8,11,21H,2-7,9-10H2,1H3,(H,17,18,19)
InChIKeyRECANPQMZKQTKO-UHFFFAOYSA-N
XLogP2.04
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[(2-Cyclohexylpyrimidin-5-yl)methyl]-3-(cyclopropylmethyl)piperidin-3-yl]methanol
CID 70744729
[1-[5-Fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-3-(2-methoxyethyl)-3-piperidinyl]methanol
CID 72916904
[(3R)-3-(cyclopropylmethyl)-1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 97152689
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
CID 97199750
2-[4-[[[5-Fluoro-6-(methylamino)pyrimidin-4-yl]amino]methyl]piperidin-4-yl]ethanol
CID 145011932
[1-(2-{[4-(Dimethylamino)-5-fluoropyrimidin-2-YL]amino}ethyl)piperidin-3-YL]methanol
CID 72894367
[1-(2-Chloro-5-fluoropyrimidin-4-yl)piperidin-3-yl]methanol
CID 79081834
[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756041
[1-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756044
[1-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80756193
2-[1-(2-Amino-5-fluoropyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80766899
2-[1-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767216

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol (CID 70729342) is [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol is CNc1nc(N2CCCC(CO)(CC3CC3)C2)ncc1F.
What is the InChIKey of [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is RECANPQMZKQTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c1-17-13-12(16)8-18-14(19-13)20-6-2-5-15(9-20,10-21)7-11-3-4-11/h8,11,21H,2-7,9-10H2,1H3,(H,17,18,19).
What are the key properties of [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
[3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol has a molecular weight of 294.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 70729342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).