N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine

C24H29N5O2 — CID 56662342

IUPACN-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine
SMILESCOc1ccc(-n2c(C3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1
InChIInChI=1S/C24H29N5O2/c1-14-25-22(27-20(15-5-6-15)16-7-8-16)21-24(26-14)29(17-9-11-18(30-2)12-10-17)23(28-21)19-4-3-13-31-19/h9-12,15-16,19-20H,3-8,13H2,1-2H3,(H,25,26,27)
InChIKeyZGQZTHWLDSRLAV-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.58
Rot. Bonds7

About N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine

N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine (PubChem CID 56662342) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine
PubChem CID56662342
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine
SMILESCOc1ccc(-n2c(C3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1
InChIInChI=1S/C24H29N5O2/c1-14-25-22(27-20(15-5-6-15)16-7-8-16)21-24(26-14)29(17-9-11-18(30-2)12-10-17)23(28-21)19-4-3-13-31-19/h9-12,15-16,19-20H,3-8,13H2,1-2H3,(H,25,26,27)
InChIKeyZGQZTHWLDSRLAV-UHFFFAOYSA-N
XLogP4.58
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine?
The IUPAC name of N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine (CID 56662342) is N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine is COc1ccc(-n2c(C3CCCO3)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine?
The InChIKey is ZGQZTHWLDSRLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-14-25-22(27-20(15-5-6-15)16-7-8-16)21-24(26-14)29(17-9-11-18(30-2)12-10-17)23(28-21)19-4-3-13-31-19/h9-12,15-16,19-20H,3-8,13H2,1-2H3,(H,25,26,27).
What are the key properties of N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine?
N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine has a molecular weight of 419.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-9-(4-methoxyphenyl)-2-methyl-8-(oxolan-2-yl)purin-6-amine is sourced from PubChem (CID 56662342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).