2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

C10H17N5O2S — CID 114176051

IUPAC2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C10H17N5O2S/c1-12-18(16,17)5-4-13-9-6-8(11)14-10(15-9)7-2-3-7/h6-7,12H,2-5H2,1H3,(H3,11,13,14,15)
InChIKeyJQGRZEHPRVDDQK-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.10
Rot. Bonds6

About 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 114176051) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID114176051
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C10H17N5O2S/c1-12-18(16,17)5-4-13-9-6-8(11)14-10(15-9)7-2-3-7/h6-7,12H,2-5H2,1H3,(H3,11,13,14,15)
InChIKeyJQGRZEHPRVDDQK-UHFFFAOYSA-N
XLogP-0.10
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343137
2-[[2-cyclopropyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylethanesulfonamide
CID 106343157
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
2-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343133
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 113495358
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
2-[(6-aminopyrazin-2-yl)amino]-N-methylethanesulfonamide
CID 106343062
2-[(6-amino-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106343060
6-chloro-2-cyclopropyl-N-(2-ethylsulfonylethyl)pyrimidin-4-amine
CID 103880067

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 114176051) is 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is JQGRZEHPRVDDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-12-18(16,17)5-4-13-9-6-8(11)14-10(15-9)7-2-3-7/h6-7,12H,2-5H2,1H3,(H3,11,13,14,15).
What are the key properties of 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 271.35 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 114176051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).