4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine

C19H27N5O — CID 112932516

IUPAC4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H27N5O/c1-2-8-21-19-22-17(16-6-4-3-5-7-16)15-18(23-19)20-9-10-24-11-13-25-14-12-24/h3-7,15H,2,8-14H2,1H3,(H2,20,21,22,23)
InChIKeyMGIBWYMJCPKRAV-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.71
Rot. Bonds8

About 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine

4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 112932516) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID112932516
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(NCCN2CCOCC2)cc(-c2ccccc2)n1
InChIInChI=1S/C19H27N5O/c1-2-8-21-19-22-17(16-6-4-3-5-7-16)15-18(23-19)20-9-10-24-11-13-25-14-12-24/h3-7,15H,2,8-14H2,1H3,(H2,20,21,22,23)
InChIKeyMGIBWYMJCPKRAV-UHFFFAOYSA-N
XLogP2.71
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-butan-2-yl-4-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidine-2,4-diamine
CID 112933992
2-N-(2-morpholin-4-ylethyl)-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933250
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
6-methyl-2-N-(2-morpholin-4-ylethyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913296
2-N-(3-methylbutyl)-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932435
2-methyl-6-N-(2-morpholin-4-ylethyl)-4-N-phenylpyrimidine-4,6-diamine
CID 112870421
6-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112913144
4-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932542
5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688
2-N-[2-(2-fluorophenyl)ethyl]-6-phenyl-4-N-propylpyrimidine-2,4-diamine
CID 112932408
4-N-(furan-2-ylmethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932522

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine (CID 112932516) is 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(NCCN2CCOCC2)cc(-c2ccccc2)n1.
What is the InChIKey of 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is MGIBWYMJCPKRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-2-8-21-19-22-17(16-6-4-3-5-7-16)15-18(23-19)20-9-10-24-11-13-25-14-12-24/h3-7,15H,2,8-14H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 112932516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).