2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol

C18H24N6O3 — CID 67505975

IUPAC2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2c1CO[C@]2(C)CCO
InChIInChI=1S/C18H24N6O3/c1-11-9-26-6-4-24(11)16-13-10-27-18(2,3-5-25)14(13)22-15(23-16)12-7-20-17(19)21-8-12/h7-8,11,25H,3-6,9-10H2,1-2H3,(H2,19,20,21)/t11-,18+/m0/s1
InChIKeyBINVIIUAKJNFRH-BBATYDOGSA-N
MW372.43 g/mol
LogP0.87
Rot. Bonds4

About 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol

2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol (PubChem CID 67505975) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol.

Molecular Properties

Compound Name2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol
PubChem CID67505975
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol
SMILESC[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2c1CO[C@]2(C)CCO
InChIInChI=1S/C18H24N6O3/c1-11-9-26-6-4-24(11)16-13-10-27-18(2,3-5-25)14(13)22-15(23-16)12-7-20-17(19)21-8-12/h7-8,11,25H,3-6,9-10H2,1-2H3,(H2,19,20,21)/t11-,18+/m0/s1
InChIKeyBINVIIUAKJNFRH-BBATYDOGSA-N
XLogP0.87
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-ethyl-3-[4-[7-(3-hydroxypropyl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 59634479
1-[4-[(7R)-7-[2-(dimethylamino)ethyl]-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]-3-ethylurea
CID 53237262
1-ethyl-3-[4-[(7S)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-7-(2-morpholin-4-ylethyl)-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 67506512
5-[4-[(3S)-3-methylmorpholin-4-yl]thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829320
5-[4-[(3S)-3-methylmorpholin-4-yl]-7-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59239620
1-ethyl-3-[4-[7-(2-hydroxypropyl)-7-methyl-4-(3-methylmorpholin-4-yl)-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea
CID 75306514
(3S)-4-[2-chloro-9-(2,2,2-trifluoroethyl)purin-6-yl]-3-methylmorpholine;5-[6-[(3S)-3-methylmorpholin-4-yl]-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
CID 158526466
5-[2-[(3S)-3-methylmorpholin-4-yl]-7-(4-methylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 118436178
4-[4-(3-methylmorpholin-4-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]aniline
CID 67506451
5-[2-(3-methylmorpholin-4-yl)-7-(3-methylpyrrolidin-3-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 123527783
3-[4-(2-aminopyrimidin-5-yl)-2-[(3S)-3-methylmorpholin-4-yl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-N,3-dimethylazetidine-1-sulfonamide
CID 118444402
5-[7-(3-methyl-1-methylsulfonylazetidin-3-yl)-2-(3-methylmorpholin-4-yl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 123546027

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol?
The IUPAC name of 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol (CID 67505975) is 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol.
What is the SMILES notation for 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol?
The canonical SMILES for 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol is C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)nc2c1CO[C@]2(C)CCO.
What is the InChIKey of 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol?
The InChIKey is BINVIIUAKJNFRH-BBATYDOGSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-11-9-26-6-4-24(11)16-13-10-27-18(2,3-5-25)14(13)22-15(23-16)12-7-20-17(19)21-8-12/h7-8,11,25H,3-6,9-10H2,1-2H3,(H2,19,20,21)/t11-,18+/m0/s1.
What are the key properties of 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol?
2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol has a molecular weight of 372.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-2-(2-aminopyrimidin-5-yl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-7-yl]ethanol is sourced from PubChem (CID 67505975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).