1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea

C24H27FN8O2 — CID 59239521

IUPAC1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESO=C(NCCF)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1
InChIInChI=1S/C24H27FN8O2/c25-7-10-28-24(34)29-18-4-2-17(3-5-18)21-30-20-16-33(23-26-8-1-9-27-23)11-6-19(20)22(31-21)32-12-14-35-15-13-32/h1-5,8-9H,6-7,10-16H2,(H2,28,29,34)
InChIKeyYHIZMVWXSFIBPW-UHFFFAOYSA-N
MW478.53 g/mol
LogP2.42
Rot. Bonds6

About 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea

1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea (PubChem CID 59239521) has the molecular formula C24H27FN8O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
PubChem CID59239521
Molecular FormulaC24H27FN8O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Name1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea
SMILESO=C(NCCF)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1
InChIInChI=1S/C24H27FN8O2/c25-7-10-28-24(34)29-18-4-2-17(3-5-18)21-30-20-16-33(23-26-8-1-9-27-23)11-6-19(20)22(31-21)32-12-14-35-15-13-32/h1-5,8-9H,6-7,10-16H2,(H2,28,29,34)
InChIKeyYHIZMVWXSFIBPW-UHFFFAOYSA-N
XLogP2.42
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The IUPAC name of 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea (CID 59239521) is 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The canonical SMILES for 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea is O=C(NCCF)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(c2ncccn2)C3)cc1.
What is the InChIKey of 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
The InChIKey is YHIZMVWXSFIBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN8O2/c25-7-10-28-24(34)29-18-4-2-17(3-5-18)21-30-20-16-33(23-26-8-1-9-27-23)11-6-19(20)22(31-21)32-12-14-35-15-13-32/h1-5,8-9H,6-7,10-16H2,(H2,28,29,34).
What are the key properties of 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea?
1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea has a molecular weight of 478.53 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-[4-(4-morpholin-4-yl-7-pyrimidin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenyl]urea is sourced from PubChem (CID 59239521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).