7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

C23H22N4O — CID 2926784

IUPAC7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2CC1CCCO1
InChIInChI=1S/C23H22N4O/c24-22-20-19(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)27(23(20)26-15-25-22)14-18-12-7-13-28-18/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26)
InChIKeySZCJSOQYDPRKQP-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.53
Rot. Bonds4

About 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 2926784) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID2926784
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2CC1CCCO1
InChIInChI=1S/C23H22N4O/c24-22-20-19(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)27(23(20)26-15-25-22)14-18-12-7-13-28-18/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26)
InChIKeySZCJSOQYDPRKQP-UHFFFAOYSA-N
XLogP4.53
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
4-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 40619169
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
6-[3-(2-morpholin-4-ylethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine;6-[3-(oxolan-2-ylmethyl)-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
CID 157297754
5-[4-amino-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 127046076
N-(2-chlorophenyl)-9-(oxolan-2-ylmethyl)purin-6-amine
CID 155799202
2-amino-3-(oxolan-2-ylmethyl)-5,7-diphenylquinazolin-4-one
CID 118053225
5-(1,3-benzodioxol-5-yl)-7-[(3S)-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 155526960
7-(1,4-dioxan-2-ylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54907990
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014

Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 2926784) is 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2CC1CCCO1.
What is the InChIKey of 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SZCJSOQYDPRKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c24-22-20-19(16-8-3-1-4-9-16)21(17-10-5-2-6-11-17)27(23(20)26-15-25-22)14-18-12-7-13-28-18/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26).
What are the key properties of 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-2-ylmethyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2926784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).