[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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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).