1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea

C21H21ClN6O2 — CID 89181939

IUPAC1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
SMILESCc1c(Cl)nc(-c2ccc(NC(=O)Nc3ccccc3)nc2)nc1N1CCOCC1
InChIInChI=1S/C21H21ClN6O2/c1-14-18(22)26-19(27-20(14)28-9-11-30-12-10-28)15-7-8-17(23-13-15)25-21(29)24-16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H2,23,24,25,29)
InChIKeyBNLYWQAZIRISHY-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.98
Rot. Bonds4

About 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea

1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea (PubChem CID 89181939) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
PubChem CID89181939
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea
SMILESCc1c(Cl)nc(-c2ccc(NC(=O)Nc3ccccc3)nc2)nc1N1CCOCC1
InChIInChI=1S/C21H21ClN6O2/c1-14-18(22)26-19(27-20(14)28-9-11-30-12-10-28)15-7-8-17(23-13-15)25-21(29)24-16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H2,23,24,25,29)
InChIKeyBNLYWQAZIRISHY-UHFFFAOYSA-N
XLogP3.98
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-ethylurea
CID 89181872
1-tert-butyl-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181960
1-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-pyridin-2-ylurea
CID 87345059
1-(2-chloroethyl)-3-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]urea
CID 89181870
1-[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 89181843
4-[[4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-fluorophenyl]carbamoylamino]benzamide
CID 89181968
1-[4-(5-methyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]urea
CID 71004541
1-methyl-3-[5-[(9R)-6-morpholin-4-yl-11-oxa-1,3,5-triazatricyclo[7.4.0.02,7]trideca-2,4,6-trien-4-yl]-2-pyridinyl]urea
CID 118000039
1-[4-(4-chloro-5-methylsulfanyl-6-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 87344926
4-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)aniline
CID 89181841
4-[[5-[7-(2-methoxypyrimidin-5-yl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]-N-methylbenzamide
CID 68915299
2-[[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]carbamoylamino]benzoic acid
CID 154265658

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea (CID 89181939) is 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea is Cc1c(Cl)nc(-c2ccc(NC(=O)Nc3ccccc3)nc2)nc1N1CCOCC1.
What is the InChIKey of 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea?
The InChIKey is BNLYWQAZIRISHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c1-14-18(22)26-19(27-20(14)28-9-11-30-12-10-28)15-7-8-17(23-13-15)25-21(29)24-16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H2,23,24,25,29).
What are the key properties of 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea?
1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea has a molecular weight of 424.89 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-5-methyl-6-morpholin-4-ylpyrimidin-2-yl)-2-pyridinyl]-3-phenylurea is sourced from PubChem (CID 89181939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).