[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol

C14H24FN5O — CID 97199750

IUPAC[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESCN(C)c1nc(NCCN2CCC[C@H](CO)C2)ncc1F
InChIInChI=1S/C14H24FN5O/c1-19(2)13-12(15)8-17-14(18-13)16-5-7-20-6-3-4-11(9-20)10-21/h8,11,21H,3-7,9-10H2,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyGUHDCONDVDADER-NSHDSACASA-N
MW297.38 g/mol
LogP0.80
Rot. Bonds6

About [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol (PubChem CID 97199750) has the molecular formula C14H24FN5O and a molecular weight of 297.38 g/mol. Its IUPAC name is [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
PubChem CID97199750
Molecular FormulaC14H24FN5O
Molecular Weight297.38 g/mol
Exact Mass297.20
IUPAC Name[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol
SMILESCN(C)c1nc(NCCN2CCC[C@H](CO)C2)ncc1F
InChIInChI=1S/C14H24FN5O/c1-19(2)13-12(15)8-17-14(18-13)16-5-7-20-6-3-4-11(9-20)10-21/h8,11,21H,3-7,9-10H2,1-2H3,(H,16,17,18)/t11-/m0/s1
InChIKeyGUHDCONDVDADER-NSHDSACASA-N
XLogP0.80
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol (CID 97199750) is [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol is CN(C)c1nc(NCCN2CCC[C@H](CO)C2)ncc1F.
What is the InChIKey of [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is GUHDCONDVDADER-NSHDSACASA-N. The full InChI is InChI=1S/C14H24FN5O/c1-19(2)13-12(15)8-17-14(18-13)16-5-7-20-6-3-4-11(9-20)10-21/h8,11,21H,3-7,9-10H2,1-2H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 297.38 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 97199750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).