4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine

C13H28N6 — CID 152621564

IUPAC4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine
SMILESCN(C)CCC1(N)C=C(NCC(C)(C)C)NC(N)=N1
InChIInChI=1S/C13H28N6/c1-12(2,3)9-16-10-8-13(15,6-7-19(4)5)18-11(14)17-10/h8,16H,6-7,9,15H2,1-5H3,(H3,14,17,18)
InChIKeyZBPZSDGLZLGLLC-UHFFFAOYSA-N
MW268.41 g/mol
LogP-0.01
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine

4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine (PubChem CID 152621564) has the molecular formula C13H28N6 and a molecular weight of 268.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine
PubChem CID152621564
Molecular FormulaC13H28N6
Molecular Weight268.41 g/mol
Exact Mass268.24
IUPAC Name4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine
SMILESCN(C)CCC1(N)C=C(NCC(C)(C)C)NC(N)=N1
InChIInChI=1S/C13H28N6/c1-12(2,3)9-16-10-8-13(15,6-7-19(4)5)18-11(14)17-10/h8,16H,6-7,9,15H2,1-5H3,(H3,14,17,18)
InChIKeyZBPZSDGLZLGLLC-UHFFFAOYSA-N
XLogP-0.01
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 148096369
4-(2,2-dimethylpropyl)-6-[3-(methylaminomethyl)azetidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 149749061
4-tert-butyl-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 151564888
4-(2-aminoethyl)-6-N-(cyclopropylmethyl)-1H-pyrimidine-2,4,6-triamine
CID 152699919
4-[2-(dimethylamino)ethyl]-2-N-hexyl-2-N-methyl-1H-pyrimidine-2,4-diamine
CID 153906990
4-(2-aminoethyl)-6-tert-butyl-4-N-methyl-1H-pyrimidine-2,4-diamine
CID 153915428
4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 154014530
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine
CID 154199516

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine (CID 152621564) is 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine is CN(C)CCC1(N)C=C(NCC(C)(C)C)NC(N)=N1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine?
The InChIKey is ZBPZSDGLZLGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N6/c1-12(2,3)9-16-10-8-13(15,6-7-19(4)5)18-11(14)17-10/h8,16H,6-7,9,15H2,1-5H3,(H3,14,17,18).
What are the key properties of 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine?
4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine has a molecular weight of 268.41 g/mol, XLogP of -0.01, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-6-N-(2,2-dimethylpropyl)-1H-pyrimidine-2,4,6-triamine is sourced from PubChem (CID 152621564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).