2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine

C20H27N3O2 — CID 143219172

IUPAC2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine
SMILESCCc1nc(C2CC2)nc(OCCc2ccccc2OC)c1CCN
InChIInChI=1S/C20H27N3O2/c1-3-17-16(10-12-21)20(23-19(22-17)15-8-9-15)25-13-11-14-6-4-5-7-18(14)24-2/h4-7,15H,3,8-13,21H2,1-2H3
InChIKeyZBFIKGAZQUCGQP-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.05
Rot. Bonds9

About 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine

2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine (PubChem CID 143219172) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine
PubChem CID143219172
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine
SMILESCCc1nc(C2CC2)nc(OCCc2ccccc2OC)c1CCN
InChIInChI=1S/C20H27N3O2/c1-3-17-16(10-12-21)20(23-19(22-17)15-8-9-15)25-13-11-14-6-4-5-7-18(14)24-2/h4-7,15H,3,8-13,21H2,1-2H3
InChIKeyZBFIKGAZQUCGQP-UHFFFAOYSA-N
XLogP3.05
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyclopentyl-4,6-diethylpyrimidin-5-yl)ethanamine
CID 79219605
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
6-bromo-2-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 106262382
5-(2-aminoethyl)-4-ethyl-6-methoxypyrimidin-2-amine
CID 105450108
2-[4-[(2-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]ethanamine
CID 115062123
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine
CID 90457832
2-(2-aminoethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 50965519
2-[2-[(2-methoxyphenoxy)methyl]phenyl]ethanamine
CID 115464876
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
4-chloro-6-ethyl-5-iodo-2-[(2-methoxyphenyl)methyl]pyrimidine
CID 66293614
N'-[2-(2-methoxyphenyl)ethyl]propanimidamide
CID 106262572

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine (CID 143219172) is 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine is CCc1nc(C2CC2)nc(OCCc2ccccc2OC)c1CCN.
What is the InChIKey of 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine?
The InChIKey is ZBFIKGAZQUCGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-17-16(10-12-21)20(23-19(22-17)15-8-9-15)25-13-11-14-6-4-5-7-18(14)24-2/h4-7,15H,3,8-13,21H2,1-2H3.
What are the key properties of 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine?
2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine has a molecular weight of 341.45 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-4-ethyl-6-[2-(2-methoxyphenyl)ethoxy]pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 143219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).