6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine

C16H29N3O — CID 116775920

IUPAC6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)(CC)OC)n1
InChIInChI=1S/C16H29N3O/c1-8-10-17-13-11-12(15(3,4)5)18-14(19-13)16(6,9-2)20-7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyXWEXZJNVEGVBBA-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.87
Rot. Bonds6

About 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine

6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 116775920) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID116775920
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(C(C)(CC)OC)n1
InChIInChI=1S/C16H29N3O/c1-8-10-17-13-11-12(15(3,4)5)18-14(19-13)16(6,9-2)20-7/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyXWEXZJNVEGVBBA-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 79197478
6-cyclopropyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine
CID 116776316
2-(2-ethoxybutan-2-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 116775818
6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
6-tert-butyl-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 62192335
2,6-ditert-butyl-N-ethylpyrimidin-4-amine
CID 62192687
[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510
6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089262
3-[(2,6-ditert-butylpyrimidin-4-yl)amino]propan-1-ol
CID 133381809
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80966505
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine (CID 116775920) is 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(C(C)(CC)OC)n1.
What is the InChIKey of 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is XWEXZJNVEGVBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-8-10-17-13-11-12(15(3,4)5)18-14(19-13)16(6,9-2)20-7/h11H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine?
6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2-methoxybutan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 116775920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).