6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine

C9H15ClN4O — CID 115658236

IUPAC6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
SMILESCCOC(C)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O/c1-3-15-6(2)5-12-8-4-7(10)13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyHAZDRXMBSFSFQW-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.55
Rot. Bonds5

About 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine

6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine (PubChem CID 115658236) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
PubChem CID115658236
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine
SMILESCCOC(C)CNc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O/c1-3-15-6(2)5-12-8-4-7(10)13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyHAZDRXMBSFSFQW-UHFFFAOYSA-N
XLogP1.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-[2-(2-methoxyphenoxy)propyl]pyrimidine-2,4-diamine
CID 133324609
6-chloro-4-N-(2-cyclopropylpropyl)pyrimidine-2,4-diamine
CID 115591456
2,6-dichloro-N-(2,2-diethoxyethyl)pyrimidin-4-amine
CID 131886166
6-N-ethyl-4-N-(2-methoxypropyl)pyrimidine-2,4,6-triamine
CID 102701909
6-chloro-4-N-(2,2-dimethylbutyl)pyrimidine-2,4-diamine
CID 103463549
6-chloro-N-(2-ethoxypropyl)pyridazin-4-amine
CID 114478234
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 78971397
(1S)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]-1-(4-chlorophenyl)ethanol
CID 52569320
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
ethyl 3-[(2-amino-6-chloropyrimidin-4-yl)amino]butanoate
CID 133363360
6-chloro-4-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 42943706

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine (CID 115658236) is 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine is CCOC(C)CNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
The InChIKey is HAZDRXMBSFSFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-3-15-6(2)5-12-8-4-7(10)13-9(11)14-8/h4,6H,3,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine has a molecular weight of 230.70 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-ethoxypropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 115658236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).