5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine

C16H23N3OS — CID 80990902

IUPAC5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(OCc2cccs2)c1C
InChIInChI=1S/C16H23N3OS/c1-5-8-17-15-12(4)16(19-14(18-15)11(2)3)20-10-13-7-6-9-21-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyQGYTVVUGUSCOEW-UHFFFAOYSA-N
MW305.45 g/mol
LogP4.37
Rot. Bonds7

About 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine

5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80990902) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80990902
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(OCc2cccs2)c1C
InChIInChI=1S/C16H23N3OS/c1-5-8-17-15-12(4)16(19-14(18-15)11(2)3)20-10-13-7-6-9-21-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,18,19)
InChIKeyQGYTVVUGUSCOEW-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80872234
5-methyl-2-propan-2-yl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990262
5-methyl-6-(4-methylpentoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989042
6-N,5-dimethyl-2-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994262
[2-tert-butyl-5-methyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 81000733
5-methyl-6-(4-methylpentan-2-yloxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80989175
5-methyl-2-propan-2-yl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80990497
2-ethyl-5-methyl-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80994020
6-methyl-2-propan-2-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 43395312
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
6-(furan-2-ylmethoxy)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80989526
2-cyclopropyl-N,5-dimethyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80990031

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine (CID 80990902) is 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is CCCNc1nc(C(C)C)nc(OCc2cccs2)c1C.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is QGYTVVUGUSCOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-5-8-17-15-12(4)16(19-14(18-15)11(2)3)20-10-13-7-6-9-21-13/h6-7,9,11H,5,8,10H2,1-4H3,(H,17,18,19).
What are the key properties of 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-propyl-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80990902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).