6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one

C26H28N4O3 — CID 67207608

IUPAC6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
SMILESCC(CO)Nc1nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1C
InChIInChI=1S/C26H28N4O3/c1-16(15-31)28-25-29-23-21(24(32)30(25)2)20(17-7-4-3-5-8-17)22(33-23)18-9-11-19(12-10-18)26(27)13-6-14-26/h3-5,7-12,16,31H,6,13-15,27H2,1-2H3,(H,28,29)
InChIKeyDPBHRPKAVWVUJD-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.99
Rot. Bonds6

About 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one

6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one (PubChem CID 67207608) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
PubChem CID67207608
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one
SMILESCC(CO)Nc1nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1C
InChIInChI=1S/C26H28N4O3/c1-16(15-31)28-25-29-23-21(24(32)30(25)2)20(17-7-4-3-5-8-17)22(33-23)18-9-11-19(12-10-18)26(27)13-6-14-26/h3-5,7-12,16,31H,6,13-15,27H2,1-2H3,(H,28,29)
InChIKeyDPBHRPKAVWVUJD-UHFFFAOYSA-N
XLogP3.99
TPSA106.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one (CID 67207608) is 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one is CC(CO)Nc1nc2oc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1C.
What is the InChIKey of 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one?
The InChIKey is DPBHRPKAVWVUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-16(15-31)28-25-29-23-21(24(32)30(25)2)20(17-7-4-3-5-8-17)22(33-23)18-9-11-19(12-10-18)26(27)13-6-14-26/h3-5,7-12,16,31H,6,13-15,27H2,1-2H3,(H,28,29).
What are the key properties of 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one?
6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one has a molecular weight of 444.54 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-aminocyclobutyl)phenyl]-2-(1-hydroxypropan-2-ylamino)-3-methyl-5-phenylfuro[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 67207608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).