4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione

C14H24N4S2 — CID 684421

IUPAC4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione
SMILESCC1(C)C=C(C[C@@]2(C)CC(C)(C)NC(=S)N2)NC(=S)N1
InChIInChI=1S/C14H24N4S2/c1-12(2)6-9(15-10(19)16-12)7-14(5)8-13(3,4)17-11(20)18-14/h6H,7-8H2,1-5H3,(H2,15,16,19)(H2,17,18,20)/t14-/m0/s1
InChIKeyKWRNBXIOLNHDJM-AWEZNQCLSA-N
MW312.51 g/mol
LogP1.92
Rot. Bonds2

About 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione

4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione (PubChem CID 684421) has the molecular formula C14H24N4S2 and a molecular weight of 312.51 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione.

Molecular Properties

Compound Name4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione
PubChem CID684421
Molecular FormulaC14H24N4S2
Molecular Weight312.51 g/mol
Exact Mass312.14
IUPAC Name4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione
SMILESCC1(C)C=C(C[C@@]2(C)CC(C)(C)NC(=S)N2)NC(=S)N1
InChIInChI=1S/C14H24N4S2/c1-12(2)6-9(15-10(19)16-12)7-14(5)8-13(3,4)17-11(20)18-14/h6H,7-8H2,1-5H3,(H2,15,16,19)(H2,17,18,20)/t14-/m0/s1
InChIKeyKWRNBXIOLNHDJM-AWEZNQCLSA-N
XLogP1.92
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.51
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione?
The IUPAC name of 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione (CID 684421) is 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione.
What is the SMILES notation for 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione?
The canonical SMILES for 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione is CC1(C)C=C(C[C@@]2(C)CC(C)(C)NC(=S)N2)NC(=S)N1.
What is the InChIKey of 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione?
The InChIKey is KWRNBXIOLNHDJM-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H24N4S2/c1-12(2)6-9(15-10(19)16-12)7-14(5)8-13(3,4)17-11(20)18-14/h6H,7-8H2,1-5H3,(H2,15,16,19)(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione?
4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione has a molecular weight of 312.51 g/mol, XLogP of 1.92, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[[(4R)-4,6,6-trimethyl-2-sulfanylidene-1,3-diazinan-4-yl]methyl]-1,3-dihydropyrimidine-2-thione is sourced from PubChem (CID 684421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).