5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine

C10H18ClN5O — CID 114129038

IUPAC5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
SMILESCN(C)CCOCCNc1ncnc(N)c1Cl
InChIInChI=1S/C10H18ClN5O/c1-16(2)4-6-17-5-3-13-10-8(11)9(12)14-7-15-10/h7H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyJSAAECJGOIAZCI-UHFFFAOYSA-N
MW259.74 g/mol
LogP0.70
Rot. Bonds7

About 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine

5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine (PubChem CID 114129038) has the molecular formula C10H18ClN5O and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
PubChem CID114129038
Molecular FormulaC10H18ClN5O
Molecular Weight259.74 g/mol
Exact Mass259.12
IUPAC Name5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
SMILESCN(C)CCOCCNc1ncnc(N)c1Cl
InChIInChI=1S/C10H18ClN5O/c1-16(2)4-6-17-5-3-13-10-8(11)9(12)14-7-15-10/h7H,3-6H2,1-2H3,(H3,12,13,14,15)
InChIKeyJSAAECJGOIAZCI-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine (CID 114129038) is 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine is CN(C)CCOCCNc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine?
The InChIKey is JSAAECJGOIAZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O/c1-16(2)4-6-17-5-3-13-10-8(11)9(12)14-7-15-10/h7H,3-6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine?
5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-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 5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114129038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).