2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

C17H32N4 — CID 80987650

IUPAC2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)(C)C)nc(NCC(C)(C)C)c1C
InChIInChI=1S/C17H32N4/c1-9-10-18-13-12(2)14(19-11-16(3,4)5)21-15(20-13)17(6,7)8/h9-11H2,1-8H3,(H2,18,19,20,21)
InChIKeyPLWLHAAFZPIHDT-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.36
Rot. Bonds5

About 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine

2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80987650) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80987650
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1nc(C(C)(C)C)nc(NCC(C)(C)C)c1C
InChIInChI=1S/C17H32N4/c1-9-10-18-13-12(2)14(19-11-16(3,4)5)21-15(20-13)17(6,7)8/h9-11H2,1-8H3,(H2,18,19,20,21)
InChIKeyPLWLHAAFZPIHDT-UHFFFAOYSA-N
XLogP4.36
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-4-N-pentyl-6-N-propylpyrimidine-4,6-diamine
CID 80982152
2-tert-butyl-5-methyl-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 80977294
3-[[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80991702
6-butan-2-yloxy-2-tert-butyl-5-methyl-N-propylpyrimidin-4-amine
CID 80988066
2-tert-butyl-4-N,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80985818
2-tert-butyl-6-N-ethyl-5-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80982199
3-[2-tert-butyl-5-methyl-6-(propylamino)pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772853
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
2-tert-butyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80980888
5-bromo-2,6-ditert-butyl-N-propylpyrimidin-4-amine
CID 66305031
1-[[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296289

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine (CID 80987650) is 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1nc(C(C)(C)C)nc(NCC(C)(C)C)c1C.
What is the InChIKey of 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is PLWLHAAFZPIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-9-10-18-13-12(2)14(19-11-16(3,4)5)21-15(20-13)17(6,7)8/h9-11H2,1-8H3,(H2,18,19,20,21).
What are the key properties of 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine?
2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 292.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-N-(2,2-dimethylpropyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80987650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).