N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine

C14H24N4S — CID 50972088

IUPACN-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCC1(N(C)C)CCSC1
InChIInChI=1S/C14H24N4S/c1-5-12-8-15-11(2)17-13(12)16-9-14(18(3)4)6-7-19-10-14/h8H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyBVQWDZSNTCWMHR-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.20
Rot. Bonds5

About N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine

N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine (PubChem CID 50972088) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine
PubChem CID50972088
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cnc(C)nc1NCC1(N(C)C)CCSC1
InChIInChI=1S/C14H24N4S/c1-5-12-8-15-11(2)17-13(12)16-9-14(18(3)4)6-7-19-10-14/h8H,5-7,9-10H2,1-4H3,(H,15,16,17)
InChIKeyBVQWDZSNTCWMHR-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine (CID 50972088) is N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine is CCc1cnc(C)nc1NCC1(N(C)C)CCSC1.
What is the InChIKey of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is BVQWDZSNTCWMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-5-12-8-15-11(2)17-13(12)16-9-14(18(3)4)6-7-19-10-14/h8H,5-7,9-10H2,1-4H3,(H,15,16,17).
What are the key properties of N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine?
N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(dimethylamino)thiolan-3-yl]methyl]-5-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 50972088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).