5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

C19H26N8O — CID 118436097

IUPAC5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CC(N)C1)CC2
InChIInChI=1S/C19H26N8O/c1-11-10-28-5-4-26(11)19-24-16(12-8-22-18(21)23-9-12)15-2-3-27(17(15)25-19)14-6-13(20)7-14/h8-9,11,13-14H,2-7,10,20H2,1H3,(H2,21,22,23)/t11-,13?,14?/m0/s1
InChIKeyYOPZKHFULRIPPD-XGNXJENSSA-N
MW382.47 g/mol
LogP0.59
Rot. Bonds3

About 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine

5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 118436097) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID118436097
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CC(N)C1)CC2
InChIInChI=1S/C19H26N8O/c1-11-10-28-5-4-26(11)19-24-16(12-8-22-18(21)23-9-12)15-2-3-27(17(15)25-19)14-6-13(20)7-14/h8-9,11,13-14H,2-7,10,20H2,1H3,(H2,21,22,23)/t11-,13?,14?/m0/s1
InChIKeyYOPZKHFULRIPPD-XGNXJENSSA-N
XLogP0.59
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine (CID 118436097) is 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CC(N)C1)CC2.
What is the InChIKey of 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is YOPZKHFULRIPPD-XGNXJENSSA-N. The full InChI is InChI=1S/C19H26N8O/c1-11-10-28-5-4-26(11)19-24-16(12-8-22-18(21)23-9-12)15-2-3-27(17(15)25-19)14-6-13(20)7-14/h8-9,11,13-14H,2-7,10,20H2,1H3,(H2,21,22,23)/t11-,13?,14?/m0/s1.
What are the key properties of 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine?
5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 382.47 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3-aminocyclobutyl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 118436097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).