4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C23H23N5O3 — CID 20826990

IUPAC4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(N(C)c3cnc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H23N5O3/c1-28(17-11-15-7-5-6-8-18(15)25-14-17)21-9-10-24-23(27-21)26-16-12-19(29-2)22(31-4)20(13-16)30-3/h5-14H,1-4H3,(H,24,26,27)
InChIKeyNLRRRNUODSXMMS-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.56
Rot. Bonds7

About 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 20826990) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID20826990
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(N(C)c3cnc4ccccc4c3)n2)cc(OC)c1OC
InChIInChI=1S/C23H23N5O3/c1-28(17-11-15-7-5-6-8-18(15)25-14-17)21-9-10-24-23(27-21)26-16-12-19(29-2)22(31-4)20(13-16)30-3/h5-14H,1-4H3,(H,24,26,27)
InChIKeyNLRRRNUODSXMMS-UHFFFAOYSA-N
XLogP4.56
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 20826990) is 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(Nc2nccc(N(C)c3cnc4ccccc4c3)n2)cc(OC)c1OC.
What is the InChIKey of 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is NLRRRNUODSXMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-28(17-11-15-7-5-6-8-18(15)25-14-17)21-9-10-24-23(27-21)26-16-12-19(29-2)22(31-4)20(13-16)30-3/h5-14H,1-4H3,(H,24,26,27).
What are the key properties of 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 417.47 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-quinolin-3-yl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 20826990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).