N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide

C12H21N5O3S — CID 110113783

IUPACN,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
SMILESCNc1cc(C)nc(C2COCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O3S/c1-9-7-11(13-2)15-12(14-9)10-8-20-6-5-17(10)21(18,19)16(3)4/h7,10H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyCMDNYSGANMUSLY-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.01
Rot. Bonds4

About N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide

N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide (PubChem CID 110113783) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
PubChem CID110113783
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC NameN,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
SMILESCNc1cc(C)nc(C2COCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C12H21N5O3S/c1-9-7-11(13-2)15-12(14-9)10-8-20-6-5-17(10)21(18,19)16(3)4/h7,10H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyCMDNYSGANMUSLY-UHFFFAOYSA-N
XLogP0.01
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide (CID 110113783) is N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide is CNc1cc(C)nc(C2COCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide?
The InChIKey is CMDNYSGANMUSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-9-7-11(13-2)15-12(14-9)10-8-20-6-5-17(10)21(18,19)16(3)4/h7,10H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide?
N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide has a molecular weight of 315.40 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide is sourced from PubChem (CID 110113783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).