2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine

C16H29N3O — CID 80966505

IUPAC2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)(C)CC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-8-10-17-12-11-13(20-16(6,7)9-2)19-14(18-12)15(3,4)5/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyHSQCGQMEKXREFQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.16
Rot. Bonds6

About 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine

2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine (PubChem CID 80966505) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
PubChem CID80966505
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)(C)CC)nc(C(C)(C)C)n1
InChIInChI=1S/C16H29N3O/c1-8-10-17-12-11-13(20-16(6,7)9-2)19-14(18-12)15(3,4)5/h11H,8-10H2,1-7H3,(H,17,18,19)
InChIKeyHSQCGQMEKXREFQ-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-methyl-6-(2-methylbutan-2-yloxy)pyrimidin-4-amine
CID 80966607
3-[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80966433
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
2-tert-butyl-6-(2-cyclobutylethoxy)-N-propylpyrimidin-4-amine
CID 106207657
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
ethyl 2-[[2-tert-butyl-6-(propylamino)pyrimidin-4-yl]amino]acetate
CID 80960937
2-tert-butyl-6-ethoxy-N-ethylpyrimidin-4-amine
CID 80965456
6-[(2-methylpropan-2-yl)oxy]-4-N-propylpyrimidine-2,4-diamine
CID 80861882
6-butoxy-2-tert-butyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 82456921
4-N-butan-2-yl-2-tert-butyl-6-N-propylpyrimidine-4,6-diamine
CID 80956340
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine (CID 80966505) is 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine is CCCNc1cc(OC(C)(C)CC)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine?
The InChIKey is HSQCGQMEKXREFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-8-10-17-12-11-13(20-16(6,7)9-2)19-14(18-12)15(3,4)5/h11H,8-10H2,1-7H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80966505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).