5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine

C8H13ClN4 — CID 84669787

IUPAC5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(Cl)c(N)n1
InChIInChI=1S/C8H13ClN4/c1-3-13(4-2)8-11-5-6(9)7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyACTOSUDXBUVFJP-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.56
Rot. Bonds3

About 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine

5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine (PubChem CID 84669787) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine
PubChem CID84669787
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(Cl)c(N)n1
InChIInChI=1S/C8H13ClN4/c1-3-13(4-2)8-11-5-6(9)7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyACTOSUDXBUVFJP-UHFFFAOYSA-N
XLogP1.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2-(diethylamino)pyrimidine-5-carbonitrile
CID 2816412
5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine
CID 55132577
5-[(1R)-1-aminoethyl]-N,N-diethyl-4-methylpyrimidin-2-amine
CID 94587541
5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide
CID 71884999
[2-(diethylamino)-4-methylpyrimidin-5-yl]methanol
CID 83183758
N,N-diethyl-7H-purin-2-amine
CID 22916630
5-bromo-2-N,2-N-diethyl-4-N-methylpyrimidine-2,4-diamine
CID 66302250
5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 48692385
5-chloro-2-(diethylamino)-N-methyl-N-[(1S)-1-pyridin-4-ylethyl]pyrimidine-4-carboxamide
CID 95977161
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
1-[2,4-bis(diethylamino)pyrimidin-5-yl]ethanone
CID 54348248
5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide
CID 48656544

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine (CID 84669787) is 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1ncc(Cl)c(N)n1.
What is the InChIKey of 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine?
The InChIKey is ACTOSUDXBUVFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-3-13(4-2)8-11-5-6(9)7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine?
5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine has a molecular weight of 200.67 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 84669787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).