2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine

C16H29N3O2 — CID 103491535

IUPAC2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(OC(C)COCC)c1C
InChIInChI=1S/C16H29N3O2/c1-8-17-13-12(4)14(21-11(3)10-20-9-2)19-15(18-13)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeySMCSIPYUMWIGFW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.32
Rot. Bonds7

About 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine

2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 103491535) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID103491535
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C(C)(C)C)nc(OC(C)COCC)c1C
InChIInChI=1S/C16H29N3O2/c1-8-17-13-12(4)14(21-11(3)10-20-9-2)19-15(18-13)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeySMCSIPYUMWIGFW-UHFFFAOYSA-N
XLogP3.32
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 103491535) is 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C(C)(C)C)nc(OC(C)COCC)c1C.
What is the InChIKey of 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is SMCSIPYUMWIGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-8-17-13-12(4)14(21-11(3)10-20-9-2)19-15(18-13)16(5,6)7/h11H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine?
2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 295.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 103491535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).