4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

C22H25N5O2 — CID 112878299

IUPAC4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2ccccc2N2CCOCC2)nc(C)n1
InChIInChI=1S/C22H25N5O2/c1-16-23-21(15-22(24-16)26-18-8-4-6-10-20(18)28-2)25-17-7-3-5-9-19(17)27-11-13-29-14-12-27/h3-10,15H,11-14H2,1-2H3,(H2,23,24,25,26)
InChIKeyPBGCTOKXNZUQRH-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.12
Rot. Bonds6

About 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine

4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112878299) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112878299
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESCOc1ccccc1Nc1cc(Nc2ccccc2N2CCOCC2)nc(C)n1
InChIInChI=1S/C22H25N5O2/c1-16-23-21(15-22(24-16)26-18-8-4-6-10-20(18)28-2)25-17-7-3-5-9-19(17)27-11-13-29-14-12-27/h3-10,15H,11-14H2,1-2H3,(H2,23,24,25,26)
InChIKeyPBGCTOKXNZUQRH-UHFFFAOYSA-N
XLogP4.12
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112867594
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 112867271
2-methyl-4-N-(2-morpholin-4-ylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112873778
N-(2-methoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935565
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2-methoxyphenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112874750
6-N-(2-methoxyphenyl)-2-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 112878329
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878306
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (CID 112878299) is 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is COc1ccccc1Nc1cc(Nc2ccccc2N2CCOCC2)nc(C)n1.
What is the InChIKey of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is PBGCTOKXNZUQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-23-21(15-22(24-16)26-18-8-4-6-10-20(18)28-2)25-17-7-3-5-9-19(17)27-11-13-29-14-12-27/h3-10,15H,11-14H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 391.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112878299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).