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

C10H17N5O2S — CID 80967424

IUPACN-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C10H17N5O2S/c1-18(16,17)13-5-4-12-9-6-8(11)14-10(15-9)7-2-3-7/h6-7,13H,2-5H2,1H3,(H3,11,12,14,15)
InChIKeyGZQOAFPJNIXGIS-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.10
Rot. Bonds6

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

N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 80967424) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID80967424
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC NameN-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C10H17N5O2S/c1-18(16,17)13-5-4-12-9-6-8(11)14-10(15-9)7-2-3-7/h6-7,13H,2-5H2,1H3,(H3,11,12,14,15)
InChIKeyGZQOAFPJNIXGIS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
N-[2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993649
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
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-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
N-[2-[(6-aminopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 78988761
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
2-cyclopropyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80961915

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 80967424) is N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cc(N)nc(C2CC2)n1.
What is the InChIKey of N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is GZQOAFPJNIXGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-18(16,17)13-5-4-12-9-6-8(11)14-10(15-9)7-2-3-7/h6-7,13H,2-5H2,1H3,(H3,11,12,14,15).
What are the key properties of N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide 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 N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80967424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).