8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione

C14H19N5O2 — CID 10039809

IUPAC8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione
SMILESCn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C14H19N5O2/c1-17-10-11(16-13(17)15)18(6-8-2-3-8)14(21)19(12(10)20)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,15,16)
InChIKeyOWVIGDPBXAJOAS-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.30
Rot. Bonds4

About 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione

8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione (PubChem CID 10039809) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione
PubChem CID10039809
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione
SMILESCn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1
InChIInChI=1S/C14H19N5O2/c1-17-10-11(16-13(17)15)18(6-8-2-3-8)14(21)19(12(10)20)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,15,16)
InChIKeyOWVIGDPBXAJOAS-UHFFFAOYSA-N
XLogP0.30
TPSA87.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione?
The IUPAC name of 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione (CID 10039809) is 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione?
The canonical SMILES for 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione is Cn1c(N)nc2c1c(=O)n(CC1CC1)c(=O)n2CC1CC1.
What is the InChIKey of 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione?
The InChIKey is OWVIGDPBXAJOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17-10-11(16-13(17)15)18(6-8-2-3-8)14(21)19(12(10)20)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,15,16).
What are the key properties of 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione?
8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione has a molecular weight of 289.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1,3-bis(cyclopropylmethyl)-7-methylpurine-2,6-dione is sourced from PubChem (CID 10039809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).