5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine

C23H23ClN6O — CID 10365652

IUPAC5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
SMILESCN(Cc1ccccc1Cl)c1c(N)ncnc1C#Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H23ClN6O/c1-29(15-18-4-2-3-5-19(18)24)22-20(27-16-28-23(22)25)8-6-17-7-9-21(26-14-17)30-10-12-31-13-11-30/h2-5,7,9,14,16H,10-13,15H2,1H3,(H2,25,27,28)
InChIKeyUYVGESTXOXCCDR-UHFFFAOYSA-N
MW434.93 g/mol
LogP2.98
Rot. Bonds4

About 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine

5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine (PubChem CID 10365652) has the molecular formula C23H23ClN6O and a molecular weight of 434.93 g/mol. Its IUPAC name is 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
PubChem CID10365652
Molecular FormulaC23H23ClN6O
Molecular Weight434.93 g/mol
Exact Mass434.16
IUPAC Name5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine
SMILESCN(Cc1ccccc1Cl)c1c(N)ncnc1C#Cc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C23H23ClN6O/c1-29(15-18-4-2-3-5-19(18)24)22-20(27-16-28-23(22)25)8-6-17-7-9-21(26-14-17)30-10-12-31-13-11-30/h2-5,7,9,14,16H,10-13,15H2,1H3,(H2,25,27,28)
InChIKeyUYVGESTXOXCCDR-UHFFFAOYSA-N
XLogP2.98
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-(4-methoxyphenyl)propyl]-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidin-4-amine
CID 10884481
5-chloro-4-N-methyl-4-N-[(2-morpholin-4-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 122148704
1-(6-morpholin-4-yl-3-pyridinyl)ethanol
CID 79886021
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
2-(2-chlorophenyl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 71794834
5-[(2-bromophenyl)methyl]-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
CID 10005239
5-chloro-1-N-[(2-chlorophenyl)methyl]-6-fluoro-1-N-methylbenzene-1,2,4-triamine
CID 103552776
2-(dimethylamino)-1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 170895839
5-amino-6-[(2-chlorophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 81440145
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
1,2-bis(6-morpholin-4-yl-3-pyridinyl)ethane-1,2-diol
CID 118482519

Frequently Asked Questions

What is the IUPAC name of 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine?
The IUPAC name of 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine (CID 10365652) is 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine?
The canonical SMILES for 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine is CN(Cc1ccccc1Cl)c1c(N)ncnc1C#Cc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine?
The InChIKey is UYVGESTXOXCCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O/c1-29(15-18-4-2-3-5-19(18)24)22-20(27-16-28-23(22)25)8-6-17-7-9-21(26-14-17)30-10-12-31-13-11-30/h2-5,7,9,14,16H,10-13,15H2,1H3,(H2,25,27,28).
What are the key properties of 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine?
5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine has a molecular weight of 434.93 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2-chlorophenyl)methyl]-5-N-methyl-6-[2-(6-morpholin-4-yl-3-pyridinyl)ethynyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 10365652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).