N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine

C10H16ClN3O — CID 65027153

IUPACN-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCCOCCCl)nc(C)n1
InChIInChI=1S/C10H16ClN3O/c1-8-7-10(14-9(2)13-8)12-4-6-15-5-3-11/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyDVMWCJUJLSVBGZ-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine

N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 65027153) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID65027153
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCCOCCCl)nc(C)n1
InChIInChI=1S/C10H16ClN3O/c1-8-7-10(14-9(2)13-8)12-4-6-15-5-3-11/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyDVMWCJUJLSVBGZ-UHFFFAOYSA-N
XLogP1.76
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
2,6-dimethyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644585
N-(2-chloroprop-2-enyl)-2,6-dimethylpyrimidin-4-amine
CID 115637255
N-[2-(2-aminoethoxy)ethyl]-6-methyl-2-propan-2-ylpyrimidin-4-amine
CID 63767232
2-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80846493
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
N-(3-butoxypropyl)-6-chloro-2-methylpyrimidin-4-amine
CID 115605791
N-[2-(2-chloroethoxy)ethyl]-6-methoxypyrazin-2-amine
CID 65027262
6-chloro-2-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576938
N-(4-methoxy-2,2-dimethylbutyl)-2,6-dimethylpyrimidin-4-amine
CID 113434162
N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
N-(2-but-3-enoxyethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 114184642

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine (CID 65027153) is N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCCOCCCl)nc(C)n1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is DVMWCJUJLSVBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8-7-10(14-9(2)13-8)12-4-6-15-5-3-11/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine?
N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 229.71 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 65027153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).