2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine

C10H18ClN5O — CID 114126982

IUPAC2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine
SMILESCN(C)CCOCCNc1nc(Cl)ncc1N
InChIInChI=1S/C10H18ClN5O/c1-16(2)4-6-17-5-3-13-9-8(12)7-14-10(11)15-9/h7H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyLMEHWOJLULTGEP-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.70
Rot. Bonds7

About 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine

2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine (PubChem CID 114126982) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine
PubChem CID114126982
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine
SMILESCN(C)CCOCCNc1nc(Cl)ncc1N
InChIInChI=1S/C10H18ClN5O/c1-16(2)4-6-17-5-3-13-9-8(12)7-14-10(11)15-9/h7H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeyLMEHWOJLULTGEP-UHFFFAOYSA-N
XLogP0.70
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
CID 114129038
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79081639
2-chloro-4-[2-(2-methoxyethoxy)ethylamino]pyrimidine-5-carboxamide
CID 154628246
2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]-5-methylbenzene-1,4-diamine
CID 114126977
3-[2-[2-(dimethylamino)ethoxy]ethylamino]pyrazine-2-carbothioamide
CID 114127823
N-(2-chloro-5-fluoropyrimidin-4-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79081851
2-chloro-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182395
2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
CID 114133019
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
2-[2-[(2,5-dichloropyrimidin-4-yl)amino]ethoxy]acetamide
CID 106240010
2-chloro-5-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrimidin-4-amine
CID 106196919
2-chloro-4-N-[2-(5-chlorothiophen-2-yl)ethyl]pyrimidine-4,5-diamine
CID 114139324

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine (CID 114126982) is 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine is CN(C)CCOCCNc1nc(Cl)ncc1N.
What is the InChIKey of 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine?
The InChIKey is LMEHWOJLULTGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-16(2)4-6-17-5-3-13-9-8(12)7-14-10(11)15-9/h7H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine?
2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine has a molecular weight of 259.74 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114126982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).