2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

C16H27N3O3 — CID 82456540

IUPAC2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCCCOC(C)C)nc(C2CC2)n1
InChIInChI=1S/C16H27N3O3/c1-12(2)21-8-4-7-17-14-11-15(22-10-9-20-3)19-16(18-14)13-5-6-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyYXGMWZRCSIZIOD-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.61
Rot. Bonds11

About 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine

2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (PubChem CID 82456540) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
PubChem CID82456540
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine
SMILESCOCCOc1cc(NCCCOC(C)C)nc(C2CC2)n1
InChIInChI=1S/C16H27N3O3/c1-12(2)21-8-4-7-17-14-11-15(22-10-9-20-3)19-16(18-14)13-5-6-13/h11-13H,4-10H2,1-3H3,(H,17,18,19)
InChIKeyYXGMWZRCSIZIOD-UHFFFAOYSA-N
XLogP2.61
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine (CID 82456540) is 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is COCCOc1cc(NCCCOC(C)C)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
The InChIKey is YXGMWZRCSIZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(2)21-8-4-7-17-14-11-15(22-10-9-20-3)19-16(18-14)13-5-6-13/h11-13H,4-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine?
2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine has a molecular weight of 309.41 g/mol, XLogP of 2.61, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)pyrimidin-4-amine is sourced from PubChem (CID 82456540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).