4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine

C7H11ClN4O — CID 122443307

IUPAC4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
SMILESCNCCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C7H11ClN4O/c1-10-2-3-13-6-4-5(8)11-7(9)12-6/h4,10H,2-3H2,1H3,(H2,9,11,12)
InChIKeyNRTMQQBNBINHJV-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.31
Rot. Bonds4

About 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine

4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine (PubChem CID 122443307) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
PubChem CID122443307
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine
SMILESCNCCOc1cc(Cl)nc(N)n1
InChIInChI=1S/C7H11ClN4O/c1-10-2-3-13-6-4-5(8)11-7(9)12-6/h4,10H,2-3H2,1H3,(H2,9,11,12)
InChIKeyNRTMQQBNBINHJV-UHFFFAOYSA-N
XLogP0.31
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-(4-methylpentoxy)pyrimidin-2-amine
CID 80740148
4-chloro-6-(3-methylbutoxy)pyrimidin-2-amine
CID 80739777
4-(2-butoxyethoxy)-6-chloropyrimidin-2-amine
CID 80740016
4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 22104151
4-chloro-6-[2-(dimethylamino)-2-methylpropoxy]pyrimidin-2-amine
CID 80738859
6-chloropyrimidine-2,4-diamine;2-(2,6-diaminopyrimidin-4-yl)oxyethanol
CID 161467672
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
4-butoxy-6-(chloromethyl)pyrimidin-2-amine
CID 54521493
4-(2-amino-6-methylpyrimidin-4-yl)oxybutylcarbamic acid
CID 70082030
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
4-chloro-6-[(3-methoxyphenyl)methoxy]pyrimidin-2-amine
CID 80740138
4-chloro-6-[[4-(ethylsulfanylmethyl)phenyl]methoxy]pyrimidin-2-amine
CID 146671786

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine (CID 122443307) is 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine is CNCCOc1cc(Cl)nc(N)n1.
What is the InChIKey of 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine?
The InChIKey is NRTMQQBNBINHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-10-2-3-13-6-4-5(8)11-7(9)12-6/h4,10H,2-3H2,1H3,(H2,9,11,12).
What are the key properties of 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine?
4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine has a molecular weight of 202.65 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(methylamino)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 122443307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).