6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C16H22N4O3 — CID 10245325

IUPAC6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H22N4O3/c1-5-11-10(15(17)20-16(18)19-11)6-9-7-12(21-2)14(23-4)13(8-9)22-3/h7-8H,5-6H2,1-4H3,(H4,17,18,19,20)
InChIKeyDEHBKCBJXJWRAZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.82
Rot. Bonds6

About 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 10245325) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID10245325
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H22N4O3/c1-5-11-10(15(17)20-16(18)19-11)6-9-7-12(21-2)14(23-4)13(8-9)22-3/h7-8H,5-6H2,1-4H3,(H4,17,18,19,20)
InChIKeyDEHBKCBJXJWRAZ-UHFFFAOYSA-N
XLogP1.82
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 10245325) is 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is DEHBKCBJXJWRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-5-11-10(15(17)20-16(18)19-11)6-9-7-12(21-2)14(23-4)13(8-9)22-3/h7-8H,5-6H2,1-4H3,(H4,17,18,19,20).
What are the key properties of 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 318.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10245325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).