4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine

C15H24N4OS — CID 78871065

IUPAC4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2(N3CCOCC3)CCSC2)n1
InChIInChI=1S/C15H24N4OS/c1-12-9-13(2)18-14(17-12)16-10-15(3-8-21-11-15)19-4-6-20-7-5-19/h9H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyFVBVINKWCCNQII-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.71
Rot. Bonds4

About 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine

4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine (PubChem CID 78871065) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
PubChem CID78871065
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCC2(N3CCOCC3)CCSC2)n1
InChIInChI=1S/C15H24N4OS/c1-12-9-13(2)18-14(17-12)16-10-15(3-8-21-11-15)19-4-6-20-7-5-19/h9H,3-8,10-11H2,1-2H3,(H,16,17,18)
InChIKeyFVBVINKWCCNQII-UHFFFAOYSA-N
XLogP1.71
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine (CID 78871065) is 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine is Cc1cc(C)nc(NCC2(N3CCOCC3)CCSC2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is FVBVINKWCCNQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-12-9-13(2)18-14(17-12)16-10-15(3-8-21-11-15)19-4-6-20-7-5-19/h9H,3-8,10-11H2,1-2H3,(H,16,17,18).
What are the key properties of 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 308.45 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 78871065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).