6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol

C10H15ClN8O2 — CID 161467672

IUPAC6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
SMILESNc1cc(Cl)nc(N)n1.Nc1cc(OCCO)nc(N)n1
InChIInChI=1S/C6H10N4O2.C4H5ClN4/c7-4-3-5(12-2-1-11)10-6(8)9-4;5-2-1-3(6)9-4(7)8-2/h3,11H,1-2H2,(H4,7,8,9,10);1H,(H4,6,7,8,9)
InChIKeyWCQTXSICLJWJGK-UHFFFAOYSA-N
MW314.74 g/mol
LogP-0.69
Rot. Bonds3

About 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol

6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol (PubChem CID 161467672) has the molecular formula C10H15ClN8O2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol.

Molecular Properties

Compound Name6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
PubChem CID161467672
Molecular FormulaC10H15ClN8O2
Molecular Weight314.74 g/mol
Exact Mass314.10
IUPAC Name6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
SMILESNc1cc(Cl)nc(N)n1.Nc1cc(OCCO)nc(N)n1
InChIInChI=1S/C6H10N4O2.C4H5ClN4/c7-4-3-5(12-2-1-11)10-6(8)9-4;5-2-1-3(6)9-4(7)8-2/h3,11H,1-2H2,(H4,7,8,9,10);1H,(H4,6,7,8,9)
InChIKeyWCQTXSICLJWJGK-UHFFFAOYSA-N
XLogP-0.69
TPSA185.10 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 5-0.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
CID 122443307
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
6-(3,3-dimethylbutoxy)pyrimidine-2,4-diamine
CID 80877647
4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine-2,4-diamine
CID 112590841
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
2-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 56804897
6-chloropyrimidine-2,4-diamine;methanesulfonic acid
CID 173351534
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
3-(6-amino-2-methylpyrimidin-4-yl)oxypropan-1-ol
CID 80866181
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
2-[[6-amino-4-(3-phenylphenyl)-2-pyridinyl]oxy]ethanol
CID 175961224

Frequently Asked Questions

What is the IUPAC name of 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol?
The IUPAC name of 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol (CID 161467672) is 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol.
What is the SMILES notation for 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol?
The canonical SMILES for 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol is Nc1cc(Cl)nc(N)n1.Nc1cc(OCCO)nc(N)n1.
What is the InChIKey of 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol?
The InChIKey is WCQTXSICLJWJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2.C4H5ClN4/c7-4-3-5(12-2-1-11)10-6(8)9-4;5-2-1-3(6)9-4(7)8-2/h3,11H,1-2H2,(H4,7,8,9,10);1H,(H4,6,7,8,9).
What are the key properties of 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol?
6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol has a molecular weight of 314.74 g/mol, XLogP of -0.69, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol is sourced from PubChem (CID 161467672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).