5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C19H25N7O2 — CID 118444283

IUPAC5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCOC1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C19H25N7O2/c1-27-14-8-13(9-14)26-3-2-15-16(12-10-21-18(20)22-11-12)23-19(24-17(15)26)25-4-6-28-7-5-25/h10-11,13-14H,2-9H2,1H3,(H2,20,21,22)
InChIKeyUIHBTAMDSVFZMF-UHFFFAOYSA-N
MW383.46 g/mol
LogP0.89
Rot. Bonds4

About 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 118444283) has the molecular formula C19H25N7O2 and a molecular weight of 383.46 g/mol. Its IUPAC name is 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID118444283
Molecular FormulaC19H25N7O2
Molecular Weight383.46 g/mol
Exact Mass383.21
IUPAC Name5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESCOC1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1
InChIInChI=1S/C19H25N7O2/c1-27-14-8-13(9-14)26-3-2-15-16(12-10-21-18(20)22-11-12)23-19(24-17(15)26)25-4-6-28-7-5-25/h10-11,13-14H,2-9H2,1H3,(H2,20,21,22)
InChIKeyUIHBTAMDSVFZMF-UHFFFAOYSA-N
XLogP0.89
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 118444283) is 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is COC1CC(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)C1.
What is the InChIKey of 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is UIHBTAMDSVFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O2/c1-27-14-8-13(9-14)26-3-2-15-16(12-10-21-18(20)22-11-12)23-19(24-17(15)26)25-4-6-28-7-5-25/h10-11,13-14H,2-9H2,1H3,(H2,20,21,22).
What are the key properties of 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 383.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3-methoxycyclobutyl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118444283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).