4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine

C14H15Cl2N5O — CID 19137671

IUPAC4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCOCC1
InChIInChI=1S/C14H15Cl2N5O/c15-9-1-2-10(16)11(7-9)20-13-12(17)14(19-8-18-13)21-3-5-22-6-4-21/h1-2,7-8H,3-6,17H2,(H,18,19,20)
InChIKeyVHKKYLRGPAINCS-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.95
Rot. Bonds3

About 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine

4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine (PubChem CID 19137671) has the molecular formula C14H15Cl2N5O and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
PubChem CID19137671
Molecular FormulaC14H15Cl2N5O
Molecular Weight340.21 g/mol
Exact Mass339.07
IUPAC Name4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
SMILESNc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCOCC1
InChIInChI=1S/C14H15Cl2N5O/c15-9-1-2-10(16)11(7-9)20-13-12(17)14(19-8-18-13)21-3-5-22-6-4-21/h1-2,7-8H,3-6,17H2,(H,18,19,20)
InChIKeyVHKKYLRGPAINCS-UHFFFAOYSA-N
XLogP2.95
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(2,5-dichlorophenyl)-6-pyrrolidin-1-ylpyrimidine-4,5-diamine
CID 19137305
4-N-(2,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138393
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
4-N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138421
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
4-N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137683
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22541164
4,6-dimorpholin-4-ylpyrimidin-5-amine
CID 19137612
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23479619
4-N-(5-chloro-2-methylphenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4,5-diamine
CID 22547247
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22541156

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine (CID 19137671) is 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine is Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCOCC1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
The InChIKey is VHKKYLRGPAINCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5O/c15-9-1-2-10(16)11(7-9)20-13-12(17)14(19-8-18-13)21-3-5-22-6-4-21/h1-2,7-8H,3-6,17H2,(H,18,19,20).
What are the key properties of 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine?
4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine has a molecular weight of 340.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 19137671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).