4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

C14H24N4O2S — CID 80984875

IUPAC4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCC2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C14H24N4O2S/c1-9(2)12-17-13(15-4)10(3)14(18-12)16-7-11-5-6-21(19,20)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyADSARBRFGUCIPW-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.80
Rot. Bonds5

About 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80984875) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80984875
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Name4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(NCC2CCS(=O)(=O)C2)c1C
InChIInChI=1S/C14H24N4O2S/c1-9(2)12-17-13(15-4)10(3)14(18-12)16-7-11-5-6-21(19,20)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyADSARBRFGUCIPW-UHFFFAOYSA-N
XLogP1.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80822810
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80822882
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80822733
N-(cyclopropylmethyl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 81001481
N-[(1,1-dioxothiolan-3-yl)methyl]-2,6-dimethylpyridin-4-amine
CID 114272163
4-N-[(1,1-dioxothiolan-3-yl)methyl]-5-methylpyrimidine-2,4-diamine
CID 80822562
4-N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981415
2-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]acetamide
CID 80981186
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylquinolin-2-amine
CID 45214315
2-N-[(1,1-dioxothiolan-3-yl)methyl]-6-methoxypyridine-2,3-diamine
CID 113286528
4-[(1,1-dioxothiolan-3-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974464
4-N-[(1,1-dioxothiolan-3-yl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80822566

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80984875) is 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(NCC2CCS(=O)(=O)C2)c1C.
What is the InChIKey of 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is ADSARBRFGUCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-9(2)12-17-13(15-4)10(3)14(18-12)16-7-11-5-6-21(19,20)8-11/h9,11H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 312.44 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,1-dioxothiolan-3-yl)methyl]-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).