5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine

C14H24FN5O2S — CID 97130364

IUPAC5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCC[C@H]2CCCCN2S(C)(=O)=O)ncc1F
InChIInChI=1S/C14H24FN5O2S/c1-19(2)13-12(15)10-17-14(18-13)16-8-7-11-6-4-5-9-20(11)23(3,21)22/h10-11H,4-9H2,1-3H3,(H,16,17,18)/t11-/m1/s1
InChIKeyLEZYVSJPDNKRQE-LLVKDONJSA-N
MW345.44 g/mol
LogP1.30
Rot. Bonds6

About 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine

5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine (PubChem CID 97130364) has the molecular formula C14H24FN5O2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
PubChem CID97130364
Molecular FormulaC14H24FN5O2S
Molecular Weight345.44 g/mol
Exact Mass345.16
IUPAC Name5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nc(NCC[C@H]2CCCCN2S(C)(=O)=O)ncc1F
InChIInChI=1S/C14H24FN5O2S/c1-19(2)13-12(15)10-17-14(18-13)16-8-7-11-6-4-5-9-20(11)23(3,21)22/h10-11H,4-9H2,1-3H3,(H,16,17,18)/t11-/m1/s1
InChIKeyLEZYVSJPDNKRQE-LLVKDONJSA-N
XLogP1.30
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine (CID 97130364) is 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine is CN(C)c1nc(NCC[C@H]2CCCCN2S(C)(=O)=O)ncc1F.
What is the InChIKey of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
The InChIKey is LEZYVSJPDNKRQE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H24FN5O2S/c1-19(2)13-12(15)10-17-14(18-13)16-8-7-11-6-4-5-9-20(11)23(3,21)22/h10-11H,4-9H2,1-3H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine?
5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine has a molecular weight of 345.44 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N,4-N-dimethyl-2-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97130364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).