1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea

C22H22N10O2 — CID 67439593

IUPAC1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea
SMILESCc1nccn1-c1nc(-c2ccc(NC(=O)Nc3cncnc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H22N10O2/c1-15-25-6-7-32(15)21-29-19(28-20(30-21)31-8-10-34-11-9-31)16-2-4-17(5-3-16)26-22(33)27-18-12-23-14-24-13-18/h2-7,12-14H,8-11H2,1H3,(H2,26,27,33)
InChIKeyWKNVDMKJHCFHHW-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.30
Rot. Bonds5

About 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea

1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea (PubChem CID 67439593) has the molecular formula C22H22N10O2 and a molecular weight of 458.49 g/mol. Its IUPAC name is 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea.

Molecular Properties

Compound Name1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea
PubChem CID67439593
Molecular FormulaC22H22N10O2
Molecular Weight458.49 g/mol
Exact Mass458.19
IUPAC Name1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea
SMILESCc1nccn1-c1nc(-c2ccc(NC(=O)Nc3cncnc3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C22H22N10O2/c1-15-25-6-7-32(15)21-29-19(28-20(30-21)31-8-10-34-11-9-31)16-2-4-17(5-3-16)26-22(33)27-18-12-23-14-24-13-18/h2-7,12-14H,8-11H2,1H3,(H2,26,27,33)
InChIKeyWKNVDMKJHCFHHW-UHFFFAOYSA-N
XLogP2.30
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-ethylurea
CID 44514481
1-[4-(4-morpholin-4-yl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylurea
CID 66585720
1-[4-(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-pyridin-4-ylurea
CID 141367192
4-[[4-[4-(3-methylpyrazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 66585722
4-[[4-[4-[4-(methylcarbamoylamino)phenyl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]carbamoylamino]benzamide
CID 66585526
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(2-pyridin-2-ylacetyl)phenyl]urea
CID 44516955
1-[4-[4-morpholin-4-yl-6-(4-propan-2-yl-1,4-diazepan-1-yl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 66585783
4-[[4-(4-morpholin-4-yl-6-propan-2-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-pyridin-3-ylbenzamide
CID 67021839
1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]urea
CID 66585891
1-[4-[4-morpholin-4-yl-6-(3-oxopropyl)-1,3,5-triazin-2-yl]phenyl]-3-pyridin-4-ylurea
CID 87059834
1-(4-fluorophenyl)-3-[4-[4-(4-methyl-1,4-diazepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]urea
CID 66585746

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea?
The IUPAC name of 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea (CID 67439593) is 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea.
What is the SMILES notation for 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea?
The canonical SMILES for 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea is Cc1nccn1-c1nc(-c2ccc(NC(=O)Nc3cncnc3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea?
The InChIKey is WKNVDMKJHCFHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10O2/c1-15-25-6-7-32(15)21-29-19(28-20(30-21)31-8-10-34-11-9-31)16-2-4-17(5-3-16)26-22(33)27-18-12-23-14-24-13-18/h2-7,12-14H,8-11H2,1H3,(H2,26,27,33).
What are the key properties of 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea?
1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea has a molecular weight of 458.49 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenyl]-3-pyrimidin-5-ylurea is sourced from PubChem (CID 67439593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).