5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

C24H29N5O — CID 66638072

IUPAC5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(-c3ccc(OCCN4CCCC4)cc3)c2C)cc1
InChIInChI=1S/C24H29N5O/c1-17-5-9-20(10-6-17)26-23-18(2)22(27-24(25)28-23)19-7-11-21(12-8-19)30-16-15-29-13-3-4-14-29/h5-12H,3-4,13-16H2,1-2H3,(H3,25,26,27,28)
InChIKeyOGZFYGZIUZAGIC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.56
Rot. Bonds7

About 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine

5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 66638072) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID66638072
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(N)nc(-c3ccc(OCCN4CCCC4)cc3)c2C)cc1
InChIInChI=1S/C24H29N5O/c1-17-5-9-20(10-6-17)26-23-18(2)22(27-24(25)28-23)19-7-11-21(12-8-19)30-16-15-29-13-3-4-14-29/h5-12H,3-4,13-16H2,1-2H3,(H3,25,26,27,28)
InChIKeyOGZFYGZIUZAGIC-UHFFFAOYSA-N
XLogP4.56
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine (CID 66638072) is 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(N)nc(-c3ccc(OCCN4CCCC4)cc3)c2C)cc1.
What is the InChIKey of 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is OGZFYGZIUZAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17-5-9-20(10-6-17)26-23-18(2)22(27-24(25)28-23)19-7-11-21(12-8-19)30-16-15-29-13-3-4-14-29/h5-12H,3-4,13-16H2,1-2H3,(H3,25,26,27,28).
What are the key properties of 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine?
5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 403.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(4-methylphenyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66638072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).