4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine

C8H17N5 — CID 154199516

IUPAC4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C8H17N5/c1-13(2)6-4-8(10)3-5-11-7(9)12-8/h3,5H,4,6,10H2,1-2H3,(H3,9,11,12)
InChIKeyNQHJKSHMYSATFT-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.98
Rot. Bonds3

About 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine

4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine (PubChem CID 154199516) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine
PubChem CID154199516
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine
SMILESCN(C)CCC1(N)C=CNC(N)=N1
InChIInChI=1S/C8H17N5/c1-13(2)6-4-8(10)3-5-11-7(9)12-8/h3,5H,4,6,10H2,1-2H3,(H3,9,11,12)
InChIKeyNQHJKSHMYSATFT-UHFFFAOYSA-N
XLogP-0.98
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethyl]-5-fluoro-1H-pyrimidine-2,4-diamine
CID 142779639
4-pentyl-1H-pyrimidine-2,4-diamine
CID 66819834
4-ethyl-1H-pyrimidine-2,4-diamine
CID 67413305
4-methyl-1H-pyrimidine-2,4-diamine
CID 68412964
4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
4-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4,6-triamine
CID 69056175
1,4-dimethyl-N-propylpyrimidin-4-amine
CID 130444818
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-propyl-1H-pyrimidine-2,4-diamine
CID 143394966
4-(2-methylpropyl)-1H-pyrimidine-2,4-diamine
CID 144001202
4-tert-butyl-1H-pyrimidine-2,4-diamine
CID 144001210
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4,6-triamine
CID 148096369

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine (CID 154199516) is 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine is CN(C)CCC1(N)C=CNC(N)=N1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is NQHJKSHMYSATFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5/c1-13(2)6-4-8(10)3-5-11-7(9)12-8/h3,5H,4,6,10H2,1-2H3,(H3,9,11,12).
What are the key properties of 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine?
4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 183.26 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154199516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).