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

C18H23N5O — CID 112867594

IUPAC4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(NC2CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-19-17(21-14-6-7-14)12-18(20-13)22-15-4-2-3-5-16(15)23-8-10-24-11-9-23/h2-5,12,14H,6-11H2,1H3,(H2,19,20,21,22)
InChIKeyCBVKNDAXPOKGHT-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.94
Rot. Bonds5

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

4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (PubChem CID 112867594) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
PubChem CID112867594
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
SMILESCc1nc(Nc2ccccc2N2CCOCC2)cc(NC2CC2)n1
InChIInChI=1S/C18H23N5O/c1-13-19-17(21-14-6-7-14)12-18(20-13)22-15-4-2-3-5-16(15)23-8-10-24-11-9-23/h2-5,12,14H,6-11H2,1H3,(H2,19,20,21,22)
InChIKeyCBVKNDAXPOKGHT-UHFFFAOYSA-N
XLogP2.94
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
4-N-(2-methoxyphenyl)-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112878299
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-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
[2-methyl-6-(2-morpholin-4-ylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365637
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
6-N-(2-bromophenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867600
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112885027
4-N-(1,1-dioxothiolan-3-yl)-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine
CID 112862016
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907068

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine (CID 112867594) is 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is Cc1nc(Nc2ccccc2N2CCOCC2)cc(NC2CC2)n1.
What is the InChIKey of 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
The InChIKey is CBVKNDAXPOKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-19-17(21-14-6-7-14)12-18(20-13)22-15-4-2-3-5-16(15)23-8-10-24-11-9-23/h2-5,12,14H,6-11H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine?
4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine has a molecular weight of 325.42 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-methyl-6-N-(2-morpholin-4-ylphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112867594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).