4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine

C15H22N4S — CID 80851821

IUPAC4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(C)(C)c1cccs1
InChIInChI=1S/C15H22N4S/c1-10(2)12-13(16)18-9-19-14(12)17-8-15(3,4)11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H3,16,17,18,19)
InChIKeyNZQMTJAEKNZUEZ-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.63
Rot. Bonds5

About 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80851821) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80851821
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCC(C)c1c(N)ncnc1NCC(C)(C)c1cccs1
InChIInChI=1S/C15H22N4S/c1-10(2)12-13(16)18-9-19-14(12)17-8-15(3,4)11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H3,16,17,18,19)
InChIKeyNZQMTJAEKNZUEZ-UHFFFAOYSA-N
XLogP3.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-4,5-diamine
CID 80527084
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
N-(2-methyl-2-thiophen-2-ylpropyl)thieno[3,2-d]pyrimidin-4-amine
CID 78962884
4-chloro-6-[(2-methyl-2-thiophen-2-ylpropyl)amino]pyrimidine-5-carbaldehyde
CID 80527583
5-chloro-4-N-(2-methyl-2-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80851975
3-bromo-2-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525947
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78962999
6-N-methyl-4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 78963058
5-N-(2-methyl-2-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 80525997
2-N-(2-methyl-2-thiophen-2-ylpropyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437186
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)pyridin-2-amine
CID 80528214
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280798

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80851821) is 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine is CC(C)c1c(N)ncnc1NCC(C)(C)c1cccs1.
What is the InChIKey of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NZQMTJAEKNZUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10(2)12-13(16)18-9-19-14(12)17-8-15(3,4)11-6-5-7-20-11/h5-7,9-10H,8H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-2-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80851821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).