5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine

C13H19N5O — CID 123357718

IUPAC5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCc1c(N)nc(N)nc1N(C)Cc1coc(C)c1
InChIInChI=1S/C13H19N5O/c1-4-10-11(14)16-13(15)17-12(10)18(3)6-9-5-8(2)19-7-9/h5,7H,4,6H2,1-3H3,(H4,14,15,16,17)
InChIKeyKHRNKONKYONUID-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.74
Rot. Bonds4

About 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine

5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 123357718) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID123357718
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCc1c(N)nc(N)nc1N(C)Cc1coc(C)c1
InChIInChI=1S/C13H19N5O/c1-4-10-11(14)16-13(15)17-12(10)18(3)6-9-5-8(2)19-7-9/h5,7H,4,6H2,1-3H3,(H4,14,15,16,17)
InChIKeyKHRNKONKYONUID-UHFFFAOYSA-N
XLogP1.74
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine (CID 123357718) is 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine is CCc1c(N)nc(N)nc1N(C)Cc1coc(C)c1.
What is the InChIKey of 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is KHRNKONKYONUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-10-11(14)16-13(15)17-12(10)18(3)6-9-5-8(2)19-7-9/h5,7H,4,6H2,1-3H3,(H4,14,15,16,17).
What are the key properties of 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine?
5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 261.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-4-N-[(5-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 123357718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).