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

C12H19N3O2 — CID 114098263

IUPACN-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCCOCC2CC2)c1C
InChIInChI=1S/C12H19N3O2/c1-9-11(14-8-15-12(9)16-2)13-5-6-17-7-10-3-4-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXEVOSVJILSAYFC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds7

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

N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 114098263) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID114098263
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCCOCC2CC2)c1C
InChIInChI=1S/C12H19N3O2/c1-9-11(14-8-15-12(9)16-2)13-5-6-17-7-10-3-4-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyXEVOSVJILSAYFC-UHFFFAOYSA-N
XLogP1.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
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-ethoxy-5-methylpyrimidin-4-amine
CID 114098261
N-(2-but-3-enoxyethyl)-6-methoxy-5-methylpyrimidin-4-amine
CID 114184626
6-methoxy-5-methyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82943748
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 114148469
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
N-cyclopropyl-N'-(6-methoxy-5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 66332349
N'-cyclopropyl-N-(6-methoxy-5-methylpyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66325432
4-[[(6-methoxy-5-methylpyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79526307
6-methoxy-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 66325409
N-[3-(cyclopropylmethoxy)propyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 78814524
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80851876
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 114098263) is N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine is COc1ncnc(NCCOCC2CC2)c1C.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is XEVOSVJILSAYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-11(14-8-15-12(9)16-2)13-5-6-17-7-10-3-4-10/h8,10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.63, 7 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-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114098263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).