5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine

C11H17N3OS — CID 114600714

IUPAC5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cnc(NCC2(C)CCCS2)nc1
InChIInChI=1S/C11H17N3OS/c1-11(4-3-5-16-11)8-14-10-12-6-9(15-2)7-13-10/h6-7H,3-5,8H2,1-2H3,(H,12,13,14)
InChIKeyBHEXWVAUUGPZFV-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.18
Rot. Bonds4

About 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine

5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine (PubChem CID 114600714) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
PubChem CID114600714
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine
SMILESCOc1cnc(NCC2(C)CCCS2)nc1
InChIInChI=1S/C11H17N3OS/c1-11(4-3-5-16-11)8-14-10-12-6-9(15-2)7-13-10/h6-7H,3-5,8H2,1-2H3,(H,12,13,14)
InChIKeyBHEXWVAUUGPZFV-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine (CID 114600714) is 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine is COc1cnc(NCC2(C)CCCS2)nc1.
What is the InChIKey of 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is BHEXWVAUUGPZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-11(4-3-5-16-11)8-14-10-12-6-9(15-2)7-13-10/h6-7H,3-5,8H2,1-2H3,(H,12,13,14).
What are the key properties of 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine?
5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(2-methylthiolan-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 114600714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).