N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C23H22N4O — CID 70693256

IUPACN-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1
InChIKeyDWKOHZOFAQOTJK-SFHVURJKSA-N
MW370.46 g/mol
LogP4.88
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 70693256) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID70693256
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1
InChIKeyDWKOHZOFAQOTJK-SFHVURJKSA-N
XLogP4.88
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 70693256) is N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DWKOHZOFAQOTJK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-28-18)25-15-26-23(20)27-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H2,24,25,26,27)/t18-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70693256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).