3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one

C15H23N5O — CID 12050168

IUPAC3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one
SMILESCCCNc1nc(=O)n(CC2CC2)c2nc(C(C)C)[nH]c12
InChIInChI=1S/C15H23N5O/c1-4-7-16-13-11-14(18-12(17-11)9(2)3)20(15(21)19-13)8-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,17,18)(H,16,19,21)
InChIKeyHMZBISTZEZRQHM-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.47
Rot. Bonds6

About 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one

3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one (PubChem CID 12050168) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one
PubChem CID12050168
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one
SMILESCCCNc1nc(=O)n(CC2CC2)c2nc(C(C)C)[nH]c12
InChIInChI=1S/C15H23N5O/c1-4-7-16-13-11-14(18-12(17-11)9(2)3)20(15(21)19-13)8-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,17,18)(H,16,19,21)
InChIKeyHMZBISTZEZRQHM-UHFFFAOYSA-N
XLogP2.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one (CID 12050168) is 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one is CCCNc1nc(=O)n(CC2CC2)c2nc(C(C)C)[nH]c12.
What is the InChIKey of 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one?
The InChIKey is HMZBISTZEZRQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-4-7-16-13-11-14(18-12(17-11)9(2)3)20(15(21)19-13)8-10-5-6-10/h9-10H,4-8H2,1-3H3,(H,17,18)(H,16,19,21).
What are the key properties of 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one?
3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-7H-purin-2-one is sourced from PubChem (CID 12050168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).