2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine

C15H22N4S — CID 80961783

IUPAC2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)nc(C(C)(C)C)n1)c1cccs1
InChIInChI=1S/C15H22N4S/c1-5-10(11-7-6-8-20-11)17-13-9-12(16)18-14(19-13)15(2,3)4/h6-10H,5H2,1-4H3,(H3,16,17,18,19)
InChIKeyKMOLVFTVPZPFDF-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.98
Rot. Bonds4

About 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine

2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine (PubChem CID 80961783) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
PubChem CID80961783
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
SMILESCCC(Nc1cc(N)nc(C(C)(C)C)n1)c1cccs1
InChIInChI=1S/C15H22N4S/c1-5-10(11-7-6-8-20-11)17-13-9-12(16)18-14(19-13)15(2,3)4/h6-10H,5H2,1-4H3,(H3,16,17,18,19)
InChIKeyKMOLVFTVPZPFDF-UHFFFAOYSA-N
XLogP3.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
6-(2-fluoropropan-2-yl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 10859400
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
2-tert-butyl-4-N-(4-methylhexan-2-yl)pyrimidine-4,6-diamine
CID 80958767
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896972
4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772193
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
6-ethyl-2-pyridin-2-yl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336468
6-(1,2,2,2-tetrafluoroethyl)-2-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 59874342
2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
2-N,2-N-dimethyl-4-N-(1-thiophen-2-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 80807202

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine (CID 80961783) is 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine is CCC(Nc1cc(N)nc(C(C)(C)C)n1)c1cccs1.
What is the InChIKey of 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
The InChIKey is KMOLVFTVPZPFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-10(11-7-6-8-20-11)17-13-9-12(16)18-14(19-13)15(2,3)4/h6-10H,5H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80961783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).