N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide

C10H18FN5O2S — CID 72905858

IUPACN-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
SMILESCN(C)c1nc(NCCN(C)S(C)(=O)=O)ncc1F
InChIInChI=1S/C10H18FN5O2S/c1-15(2)9-8(11)7-13-10(14-9)12-5-6-16(3)19(4,17)18/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyMKOUPNSVQFMJCR-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.01
Rot. Bonds6

About N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide

N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide (PubChem CID 72905858) has the molecular formula C10H18FN5O2S and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
PubChem CID72905858
Molecular FormulaC10H18FN5O2S
Molecular Weight291.35 g/mol
Exact Mass291.12
IUPAC NameN-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
SMILESCN(C)c1nc(NCCN(C)S(C)(=O)=O)ncc1F
InChIInChI=1S/C10H18FN5O2S/c1-15(2)9-8(11)7-13-10(14-9)12-5-6-16(3)19(4,17)18/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyMKOUPNSVQFMJCR-UHFFFAOYSA-N
XLogP-0.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide (CID 72905858) is N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide is CN(C)c1nc(NCCN(C)S(C)(=O)=O)ncc1F.
What is the InChIKey of N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is MKOUPNSVQFMJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5O2S/c1-15(2)9-8(11)7-13-10(14-9)12-5-6-16(3)19(4,17)18/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 291.35 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 72905858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).