5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

C11H18N4S — CID 103065368

IUPAC5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC1CCSC1
InChIInChI=1S/C11H18N4S/c1-3-9-10(12-2)13-7-14-11(9)15-8-4-5-16-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyHHFWXRVLUODGEC-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.00
Rot. Bonds4

About 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (PubChem CID 103065368) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
PubChem CID103065368
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC1CCSC1
InChIInChI=1S/C11H18N4S/c1-3-9-10(12-2)13-7-14-11(9)15-8-4-5-16-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyHHFWXRVLUODGEC-UHFFFAOYSA-N
XLogP2.00
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine (CID 103065368) is 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NC1CCSC1.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
The InChIKey is HHFWXRVLUODGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-3-9-10(12-2)13-7-14-11(9)15-8-4-5-16-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine has a molecular weight of 238.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-(thiolan-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 103065368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).