5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

C11H19ClN4O — CID 80808649

IUPAC5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(N(CC)CCOC)n1
InChIInChI=1S/C11H19ClN4O/c1-4-13-11-14-8-9(12)10(15-11)16(5-2)6-7-17-3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyRIGYBRGZOSXLEM-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.03
Rot. Bonds7

About 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine

5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (PubChem CID 80808649) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
PubChem CID80808649
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Cl)c(N(CC)CCOC)n1
InChIInChI=1S/C11H19ClN4O/c1-4-13-11-14-8-9(12)10(15-11)16(5-2)6-7-17-3/h8H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyRIGYBRGZOSXLEM-UHFFFAOYSA-N
XLogP2.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-N-ethyl-4-N,4-N-bis(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80795233
5-chloro-2-N,4-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-2,4-diamine
CID 80799979
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80909247
5-bromo-2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 80806443
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674
5-chloro-4-N-(2-methoxyethyl)-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80796727
5-chloro-2-N,4-N,4-N-tripropylpyrimidine-2,4-diamine
CID 80764996
5-chloro-4-N,4-N-bis(2-ethoxyethyl)-2-N-methylpyrimidine-2,4-diamine
CID 82952991
3-chloro-N-ethyl-5-(ethylaminomethyl)-N-(2-methoxyethyl)pyridin-2-amine
CID 62295498
2-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]-propylamino]-N,N-dimethylacetamide
CID 80806625
2-N,4-N,4-N-triethyl-5-methylpyrimidine-2,4-diamine
CID 80766610
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine (CID 80808649) is 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is CCNc1ncc(Cl)c(N(CC)CCOC)n1.
What is the InChIKey of 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
The InChIKey is RIGYBRGZOSXLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-4-13-11-14-8-9(12)10(15-11)16(5-2)6-7-17-3/h8H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine?
5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine has a molecular weight of 258.75 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N,4-N-diethyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).