6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

C18H26N4O3 — CID 46226000

IUPAC6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(CNc2nc(C)cc(NC(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C18H26N4O3/c1-11(2)20-16-7-12(3)21-18(22-16)19-10-13-8-14(23-4)17(25-6)15(9-13)24-5/h7-9,11H,10H2,1-6H3,(H2,19,20,21,22)
InChIKeyPGOYAHDUCMIHCV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.24
Rot. Bonds8

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

6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 46226000) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID46226000
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(CNc2nc(C)cc(NC(C)C)n2)cc(OC)c1OC
InChIInChI=1S/C18H26N4O3/c1-11(2)20-16-7-12(3)21-18(22-16)19-10-13-8-14(23-4)17(25-6)15(9-13)24-5/h7-9,11H,10H2,1-6H3,(H2,19,20,21,22)
InChIKeyPGOYAHDUCMIHCV-UHFFFAOYSA-N
XLogP3.24
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 46226000) is 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is COc1cc(CNc2nc(C)cc(NC(C)C)n2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PGOYAHDUCMIHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11(2)20-16-7-12(3)21-18(22-16)19-10-13-8-14(23-4)17(25-6)15(9-13)24-5/h7-9,11H,10H2,1-6H3,(H2,19,20,21,22).
What are the key properties of 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine?
6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 346.43 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-propan-2-yl-2-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 46226000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).