N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide

C12H23N5O2S — CID 80967250

IUPACN-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCCNc1cc(NCCNS(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-13-10-8-11(17-12(16-10)9(2)3)14-6-7-15-20(4,18)19/h8-9,15H,5-7H2,1-4H3,(H2,13,14,16,17)
InChIKeyKXSCCWPVNKLWCR-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.99
Rot. Bonds8

About N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 80967250) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID80967250
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCCNc1cc(NCCNS(C)(=O)=O)nc(C(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-13-10-8-11(17-12(16-10)9(2)3)14-6-7-15-20(4,18)19/h8-9,15H,5-7H2,1-4H3,(H2,13,14,16,17)
InChIKeyKXSCCWPVNKLWCR-UHFFFAOYSA-N
XLogP0.99
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.99
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

N-[3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332318
2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethylurea
CID 83117246
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
N-(2-ethylsulfonylethyl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 113257391
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
6-N-ethyl-2-propan-2-yl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433946
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 80967250) is N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide is CCNc1cc(NCCNS(C)(=O)=O)nc(C(C)C)n1.
What is the InChIKey of N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is KXSCCWPVNKLWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-5-13-10-8-11(17-12(16-10)9(2)3)14-6-7-15-20(4,18)19/h8-9,15H,5-7H2,1-4H3,(H2,13,14,16,17).
What are the key properties of N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.99, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 80967250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).