N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C13H21N3OS — CID 112638297

IUPACN-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2(C)CCCS2)n1
InChIInChI=1S/C13H21N3OS/c1-10(2)17-11-5-7-14-12(16-11)15-9-13(3)6-4-8-18-13/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyWQCPDUHCSVNXIT-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.96
Rot. Bonds5

About N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 112638297) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID112638297
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2(C)CCCS2)n1
InChIInChI=1S/C13H21N3OS/c1-10(2)17-11-5-7-14-12(16-11)15-9-13(3)6-4-8-18-13/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15,16)
InChIKeyWQCPDUHCSVNXIT-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975246
N-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 113371002
N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 104762705
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 114600714
N-[(4-methylthiophen-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638234
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
5-fluoro-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
CID 115750262
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 112638297) is N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCC2(C)CCCS2)n1.
What is the InChIKey of N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is WQCPDUHCSVNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(2)17-11-5-7-14-12(16-11)15-9-13(3)6-4-8-18-13/h5,7,10H,4,6,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 112638297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).