N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine

C13H21N3O2 — CID 114098261

IUPACN-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCCOCC2CC2)c1C
InChIInChI=1S/C13H21N3O2/c1-3-18-13-10(2)12(15-9-16-13)14-6-7-17-8-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyQUWJTIGJGCTFBI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.02
Rot. Bonds8

About N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine

N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 114098261) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID114098261
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCCOCC2CC2)c1C
InChIInChI=1S/C13H21N3O2/c1-3-18-13-10(2)12(15-9-16-13)14-6-7-17-8-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyQUWJTIGJGCTFBI-UHFFFAOYSA-N
XLogP2.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263
N-(2-but-3-enoxyethyl)-6-ethoxy-5-methylpyrimidin-4-amine
CID 106405169
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
6-(cyclohexylmethoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80880319
4-N-[2-(cyclopropylmethoxy)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 114098683
6-ethoxy-5-methyl-N-pent-3-ynylpyrimidin-4-amine
CID 116644552
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
N-[2-(cyclopropylmethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 113233517
N-cyclopropyl-4-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]butanamide
CID 79400749
methyl 3-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]propanoate
CID 66326780
6-ethoxy-5-methyl-N-(5-methylhexyl)pyrimidin-4-amine
CID 115326240
6-ethoxy-5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 66326429

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine (CID 114098261) is N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NCCOCC2CC2)c1C.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is QUWJTIGJGCTFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-18-13-10(2)12(15-9-16-13)14-6-7-17-8-11-4-5-11/h9,11H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114098261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).