6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine

C17H30N4O — CID 82457974

IUPAC6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
SMILESCOc1cc(NCCCCN2CCCC2)nc(CC(C)C)n1
InChIInChI=1S/C17H30N4O/c1-14(2)12-16-19-15(13-17(20-16)22-3)18-8-4-5-9-21-10-6-7-11-21/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyGVEBVYDPRGEEBX-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.97
Rot. Bonds9

About 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine

6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine (PubChem CID 82457974) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
PubChem CID82457974
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine
SMILESCOc1cc(NCCCCN2CCCC2)nc(CC(C)C)n1
InChIInChI=1S/C17H30N4O/c1-14(2)12-16-19-15(13-17(20-16)22-3)18-8-4-5-9-21-10-6-7-11-21/h13-14H,4-12H2,1-3H3,(H,18,19,20)
InChIKeyGVEBVYDPRGEEBX-UHFFFAOYSA-N
XLogP2.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The IUPAC name of 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine (CID 82457974) is 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine is COc1cc(NCCCCN2CCCC2)nc(CC(C)C)n1.
What is the InChIKey of 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
The InChIKey is GVEBVYDPRGEEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-14(2)12-16-19-15(13-17(20-16)22-3)18-8-4-5-9-21-10-6-7-11-21/h13-14H,4-12H2,1-3H3,(H,18,19,20).
What are the key properties of 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine?
6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine has a molecular weight of 306.45 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(2-methylpropyl)-N-(4-pyrrolidin-1-ylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 82457974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).