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

C15H23FN4O — CID 97122572

IUPAC[(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCC[C@](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)/t15-/m0/s1
InChIKeyRECANPQMZKQTKO-HNNXBMFYSA-N
MW294.37 g/mol
LogP2.04
Rot. Bonds5

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

[(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 97122572) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID97122572
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESCNc1nc(N2CCC[C@](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)/t15-/m0/s1
InChIKeyRECANPQMZKQTKO-HNNXBMFYSA-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

[(3S)-3-(cyclopropylmethyl)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methanol
CID 97150514
(1S)-1-[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 99974242
9-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97209011
N-[[5-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
CID 70747840
2-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazol-4-ol
CID 167774269
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97123436
5-fluoro-N-methyl-2-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]pyrimidin-4-amine
CID 134706201
4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-2-methoxypyridine-3-carbonitrile
CID 97151960
1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 134699717
4-[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-6-hydroxy-1,4-diazepan-1-yl]-4-oxobutanoic acid
CID 74249461
[(3S)-3-(cyclopropylmethyl)-1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]methanol
CID 97122738
[(3R)-3-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanol
CID 97153137

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol (CID 97122572) is [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol is CNc1nc(N2CCC[C@](CO)(CC3CC3)C2)ncc1F.
What is the InChIKey of [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is RECANPQMZKQTKO-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol?
[(3S)-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 [(3S)-3-(cyclopropylmethyl)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 97122572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).