N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

C13H21N3O3S — CID 115975281

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C13H21N3O3S/c1-9(2)19-12-7-10(3)15-13(16-12)14-8-11-5-4-6-20(11,17)18/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyXKYUYKWWOPNXGE-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.56
Rot. Bonds5

About N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine

N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (PubChem CID 115975281) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
PubChem CID115975281
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
SMILESCc1cc(OC(C)C)nc(NCC2CCCS2(=O)=O)n1
InChIInChI=1S/C13H21N3O3S/c1-9(2)19-12-7-10(3)15-13(16-12)14-8-11-5-4-6-20(11,17)18/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyXKYUYKWWOPNXGE-UHFFFAOYSA-N
XLogP1.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine with MolForge

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Related Compounds

N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
2-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975133
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
1-[[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 112637995
2-[(1,1-dioxothiolan-2-yl)methylamino]-4,6-dimethylpyridine-3-carboxylic acid
CID 81040091
N-cyclopropyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanamide
CID 115975222
6-chloro-2-N-[(1,1-dioxothiolan-2-yl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 81047139
N-[[1-(chloromethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103969249
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 103970503
N-[2-(aminomethyl)cyclopentyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635000
N-(2-methoxypropyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 102698965
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine (CID 115975281) is N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is Cc1cc(OC(C)C)nc(NCC2CCCS2(=O)=O)n1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
The InChIKey is XKYUYKWWOPNXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)19-12-7-10(3)15-13(16-12)14-8-11-5-4-6-20(11,17)18/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine?
N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 115975281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).